5-iodanyl-2-[(phenylmethyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 5-iodanyl-2-[(phenylmethyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-(benzylamino)-5-iodo-pyridine-3-carboxylic acid CAS Name: 5-iodo-2-[(phenylmethyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 2-(benzylamino)-5-iodopyridine-3-carboxylic acid Traditional Name: 2-(benzylamino)-5-iodo-nicotinic acid Formula: C13H11IN2O2 MolecularWeight: 354.14311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=C(C=C2C(=O)O)I

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=C(C=C2C(=O)O)I

InChI

InChI=1S/C13H11IN2O2/c14-10-6-11(13(17)18)12(16-8-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16)(H,17,18)