3-ACETYLPYRIDINE
CNP0239193.0 · C7H7NO · View on COCONUT ↗
Identifiers
| Name | 3-ACETYLPYRIDINE |
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| IUPAC Name | 1-(3-pyridyl)ethanone |
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| COCONUT ID | CNP0239193.0 |
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| CAS | 350-03-8 |
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| InChIKey | WEGYGNROSJDEIW-UHFFFAOYSA-N |
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| InChI | InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3 |
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| SMILES | CC(=O)C1=CC=CN=C1 |
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Properties
| Molecular Formula | C7H7NO |
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| Molecular Weight | 121.14 |
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| Exact Mass | 121.05276 |
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| Log P (ALogP) | 1.28 |
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| TPSA | 29.96 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.52 |
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| NP-likeness | -0.94 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Nicotinic acid alkaloids |
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| NP Class | Pyridine alkaloids |
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| Chemical Superclass | Organic oxygen compounds |
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| Chemical Class | Organooxygen compounds |
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| Chemical Subclass | Carbonyl compounds |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
