1,2-dihydropyridine
CNP0081217.0 · C5H7N · View on COCONUT ↗
Identifiers
| Name | 1,2-dihydropyridine |
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| IUPAC Name | 1,2-dihydropyridine |
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| COCONUT ID | CNP0081217.0 |
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| CAS | 22694-45-7 |
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| InChIKey | MMWRGWQTAMNAFC-UHFFFAOYSA-N |
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| InChI | InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-4,6H,5H2 |
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| SMILES | C1=CCNC=C1 |
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Properties
| Molecular Formula | C5H7N |
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| Molecular Weight | 81.12 |
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| Exact Mass | 81.05785 |
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| Log P (ALogP) | 0.66 |
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| TPSA | 12.03 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 0 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.45 |
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| NP-likeness | 1.57 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Pyridines and derivatives |
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| Chemical Subclass | Hydropyridines |
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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.
