4-[[(5-azanylpyridin-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(5-azanylpyridin-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(5-amino-2-pyridyl)amino]methyl]benzoic acid CAS Name: 4-[[(5-amino-2-pyridinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(5-aminopyridin-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-amino-2-pyridyl)amino]methyl]benzoic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=C(C=C2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=C(C=C2)N)C(=O)O

InChI

InChI=1S/C13H13N3O2/c14-11-5-6-12(16-8-11)15-7-9-1-3-10(4-2-9)13(17)18/h1-6,8H,7,14H2,(H,15,16)(H,17,18)