Molecule ID: 5571

IUPAC Name: 1-methylpyridin-1-ium-3-carboxylic acid

Description: The molecule is a pyridinium ion consisting of nicotinic acid having a methyl substituent on the pyridine nitrogen. It has a role as a plant metabolite. It derives from a nicotinic acid. It is a conjugate acid of a N-methylnicotinate.

SMILES: C[n+]1cccc(C(=O)O)c1

SELFIES: [C][N+1][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]

InChI: InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3/p+1

Molecular Properties:
- Polar Surface Area: 41.2 Ų
- LogP: 0.5