Molecule ID: 108

IUPAC Name: 2-pyridin-3-ylacetic acid

Description: The molecule is a monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids. It has a role as a human xenobiotic metabolite. It is a member of pyridines and a monocarboxylic acid.

SMILES: O=C(O)Cc1cccnc1

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

InChI: InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)

Molecular Properties:
- Polar Surface Area: 50.2 Ų
- LogP: -0.1