Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-10 22:14:25 UTC |
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Update Date | 2021-09-26 22:53:25 UTC |
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HMDB ID | HMDB0245139 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 2-Hydrazinopyridine |
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Description | 2-hydrazinylpyridine belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. Based on a literature review a significant number of articles have been published on 2-hydrazinylpyridine. This compound has been identified in human blood as reported by (PMID: 31557052 ). 2-hydrazinopyridine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2-Hydrazinopyridine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | InChI=1S/C5H7N3/c6-8-5-3-1-2-4-7-5/h1-4H,6H2,(H,7,8) |
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Synonyms | Value | Source |
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2-Pyridinylhydrazine | MeSH |
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Chemical Formula | C5H7N3 |
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Average Molecular Weight | 109.132 |
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Monoisotopic Molecular Weight | 109.063997237 |
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IUPAC Name | 2-hydrazinylpyridine |
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Traditional Name | 2(1H)-pyridinone, hydrazone |
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CAS Registry Number | Not Available |
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SMILES | NNC1=CC=CC=N1 |
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InChI Identifier | InChI=1S/C5H7N3/c6-8-5-3-1-2-4-7-5/h1-4H,6H2,(H,7,8) |
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InChI Key | NWELCUKYUCBVKK-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyridines and derivatives |
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Sub Class | Not Available |
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Direct Parent | Pyridines and derivatives |
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Alternative Parents | |
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Substituents | - Imidolactam
- Pyridine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Hydrazine derivative
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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2-Hydrazinopyridine,1TMS,isomer #1 | C[Si](C)(C)NNC1=CC=CC=N1 | 1395.0 | Semi standard non polar | 33892256 | 2-Hydrazinopyridine,1TMS,isomer #1 | C[Si](C)(C)NNC1=CC=CC=N1 | 1255.1 | Standard non polar | 33892256 | 2-Hydrazinopyridine,1TMS,isomer #1 | C[Si](C)(C)NNC1=CC=CC=N1 | 1931.4 | Standard polar | 33892256 | 2-Hydrazinopyridine,1TMS,isomer #2 | C[Si](C)(C)N(N)C1=CC=CC=N1 | 1304.5 | Semi standard non polar | 33892256 | 2-Hydrazinopyridine,1TMS,isomer #2 | C[Si](C)(C)N(N)C1=CC=CC=N1 | 1365.1 | Standard non polar | 33892256 | 2-Hydrazinopyridine,1TMS,isomer #2 | C[Si](C)(C)N(N)C1=CC=CC=N1 | 1993.7 | Standard polar | 33892256 | 2-Hydrazinopyridine,2TMS,isomer #1 | C[Si](C)(C)N(NC1=CC=CC=N1)[Si](C)(C)C | 1506.7 | Semi standard non polar | 33892256 | 2-Hydrazinopyridine,2TMS,isomer #1 | C[Si](C)(C)N(NC1=CC=CC=N1)[Si](C)(C)C | 1469.5 | Standard non polar | 33892256 | 2-Hydrazinopyridine,2TMS,isomer #1 | C[Si](C)(C)N(NC1=CC=CC=N1)[Si](C)(C)C | 1881.4 | Standard polar | 33892256 | 2-Hydrazinopyridine,2TMS,isomer #2 | C[Si](C)(C)NN(C1=CC=CC=N1)[Si](C)(C)C | 1401.1 | Semi standard non polar | 33892256 | 2-Hydrazinopyridine,2TMS,isomer #2 | C[Si](C)(C)NN(C1=CC=CC=N1)[Si](C)(C)C | 1388.0 | Standard non polar | 33892256 | 2-Hydrazinopyridine,2TMS,isomer #2 | C[Si](C)(C)NN(C1=CC=CC=N1)[Si](C)(C)C | 1709.4 | Standard polar | 33892256 | 2-Hydrazinopyridine,3TMS,isomer #1 | C[Si](C)(C)N(C1=CC=CC=N1)N([Si](C)(C)C)[Si](C)(C)C | 1469.0 | Semi standard non polar | 33892256 | 2-Hydrazinopyridine,3TMS,isomer #1 | C[Si](C)(C)N(C1=CC=CC=N1)N([Si](C)(C)C)[Si](C)(C)C | 1512.8 | Standard non polar | 33892256 | 2-Hydrazinopyridine,3TMS,isomer #1 | C[Si](C)(C)N(C1=CC=CC=N1)N([Si](C)(C)C)[Si](C)(C)C | 1684.8 | Standard polar | 33892256 | 2-Hydrazinopyridine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NNC1=CC=CC=N1 | 1601.4 | Semi standard non polar | 33892256 | 2-Hydrazinopyridine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NNC1=CC=CC=N1 | 1479.8 | Standard non polar | 33892256 | 2-Hydrazinopyridine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NNC1=CC=CC=N1 | 2121.2 | Standard polar | 33892256 | 2-Hydrazinopyridine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(N)C1=CC=CC=N1 | 1456.9 | Semi standard non polar | 33892256 | 2-Hydrazinopyridine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(N)C1=CC=CC=N1 | 1556.8 | Standard non polar | 33892256 | 2-Hydrazinopyridine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(N)C1=CC=CC=N1 | 2140.7 | Standard polar | 33892256 | 2-Hydrazinopyridine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(NC1=CC=CC=N1)[Si](C)(C)C(C)(C)C | 1808.5 | Semi standard non polar | 33892256 | 2-Hydrazinopyridine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(NC1=CC=CC=N1)[Si](C)(C)C(C)(C)C | 1830.5 | Standard non polar | 33892256 | 2-Hydrazinopyridine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(NC1=CC=CC=N1)[Si](C)(C)C(C)(C)C | 2119.1 | Standard polar | 33892256 | 2-Hydrazinopyridine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NN(C1=CC=CC=N1)[Si](C)(C)C(C)(C)C | 1790.7 | Semi standard non polar | 33892256 | 2-Hydrazinopyridine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NN(C1=CC=CC=N1)[Si](C)(C)C(C)(C)C | 1808.8 | Standard non polar | 33892256 | 2-Hydrazinopyridine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NN(C1=CC=CC=N1)[Si](C)(C)C(C)(C)C | 2003.6 | Standard polar | 33892256 | 2-Hydrazinopyridine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C1=CC=CC=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2016.0 | Semi standard non polar | 33892256 | 2-Hydrazinopyridine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C1=CC=CC=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2089.6 | Standard non polar | 33892256 | 2-Hydrazinopyridine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C1=CC=CC=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2058.8 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - 2-Hydrazinopyridine GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4i-9600000000-cd37fa4d3049e77d52f8 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Hydrazinopyridine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Hydrazinopyridine 10V, Positive-QTOF | splash10-03di-0900000000-098c82e0975dbfe9a0ea | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Hydrazinopyridine 20V, Positive-QTOF | splash10-03di-2900000000-d6f5a42f1e8f511cfe5b | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Hydrazinopyridine 40V, Positive-QTOF | splash10-0udi-9000000000-724e6e3edf593de7bdc4 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Hydrazinopyridine 10V, Negative-QTOF | splash10-0a4i-0900000000-11720ab9074f1da461a6 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Hydrazinopyridine 20V, Negative-QTOF | splash10-0a4i-4900000000-3f6f7119ae5180b2dab0 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Hydrazinopyridine 40V, Negative-QTOF | splash10-03fr-9000000000-4fd09b6cf6bfa732dfb7 | 2021-10-12 | Wishart Lab | View Spectrum |
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