2-Ethyl-5-methylpyridine
CNP0185750.0 · C8H11N · View on COCONUT ↗
Identifiers
| Name | 2-Ethyl-5-methylpyridine |
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| IUPAC Name | 2-ethyl-5-methyl-pyridine |
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| COCONUT ID | CNP0185750.0 |
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| CAS | 18113-81-0 |
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| InChIKey | COHDGTRFTKHYSJ-UHFFFAOYSA-N |
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| InChI | InChI=1S/C8H11N/c1-3-8-5-4-7(2)6-9-8/h4-6H,3H2,1-2H3 |
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| SMILES | CCC1=CC=C(C)C=N1 |
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Properties
| Molecular Formula | C8H11N |
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| Molecular Weight | 121.18 |
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| Exact Mass | 121.08915 |
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| Log P (ALogP) | 1.95 |
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| TPSA | 12.89 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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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 | 0.55 |
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| NP-likeness | -1.24 |
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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 | Organoheterocyclic compounds |
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| Chemical Class | Pyridines and derivatives |
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| Chemical Subclass | Halopyridines |
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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.
