Molecule ID: 7191

IUPAC Name: benzyl pyridine-3-carboxylate

Description: The molecule is a benzyl ester resulting from the formal condensation of the carboxy group of nicotinic acid with benzyl alcohol. It has been used as a rubefacient. It has a role as a vasodilator agent. It derives from a nicotinic acid.

SMILES: O=C(OCc1ccccc1)c1cccnc1

SELFIES: [O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]

InChI: InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2

Molecular Properties:
- Polar Surface Area: 39.2 Ų
- LogP: 2.4