Molecule ID: 9834513

IUPAC Name: N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

Description: The molecule is a pyridinecarboxamide that is nicotinamide substituted by a trifluoromethyl group at position 4 and a cyanomethyl group at the carbamoyl nitrogen atom. It has a role as a xenobiotic, an environmental contaminant and an insecticide. It is a pyridinecarboxamide, a nitrile and an organofluorine compound. It derives from a nicotinamide.

SMILES: N#CCN=C(O)c1cnccc1C(F)(F)F

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

InChI: InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)

Molecular Properties:
- Polar Surface Area: 65.8 Ų
- LogP: 0.8