Molecule ID: 135527764

IUPAC Name: N-[1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene]nitramide

Description: The molecule is an imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1. It has a role as a nicotinic acetylcholine receptor agonist, a neonicotinoid insectide, a xenobiotic, an environmental contaminant and a genotoxin. It is a member of imidazolidines and a monochloropyridine. It derives from a 2-chloropyridine.

SMILES: O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1

SELFIES: [O][=N+1][Branch1][C][O-1][N][C][=N][C][C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]

InChI: InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: 1.2