2-Heptylpyridine
PubChem CID: 72919
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| Compound Synonyms | 2-Heptylpyridine, 20815-27-4, M2P9P6W3VB, Pyridine, 2-heptyl-, 2-N-HEPTYLPYRIDINE, DTXSID10174928, EINECS 244-056-6, 2-heptyl-pyridine, UNII-M2P9P6W3VB, SCHEMBL919951, DTXCID4097419, SB53211, NS00026743, 244-056-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | CCCCCCCcccccn6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-heptylpyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H19N |
| Scaffold Graph Node Bond Level | c1ccncc1 |
| Inchi Key | DYCPESWJKDONHC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 2-heptylpyridine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 2-Heptylpyridine |
| Exact Mass | 177.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.152 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 177.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H19N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h7-8,10-11H,2-6,9H2,1H3 |
| Smiles | CCCCCCCC1=CC=CC=N1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699369