4-[[(6-azanylpyridin-3-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(6-azanylpyridin-3-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(6-amino-3-pyridyl)amino]methyl]benzoic acid CAS Name: 4-[[(6-amino-3-pyridinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(6-aminopyridin-3-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-amino-3-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=CN=C(C=C2)N)C(=O)O

Isomeric SMILES

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

InChI

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