2-[3-(5-bromanylpyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(5-bromanylpyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethanoic acid Openeye Name: 2-[3-(5-bromo-3-pyridyl)-1H-1,2,4-triazol-5-yl]acetic acid CAS Name: 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]acetic acid IUPAC Name: 2-[3-(5-bromopyridin-3-yl)-1H-1,2,4-triazol-5-yl]acetic acid Traditional Name: 2-[3-(5-bromo-3-pyridyl)-1H-1,2,4-triazol-5-yl]acetic acid Formula: C9H7BrN4O2 MolecularWeight: 283.08148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1Br)C2=NNC(=N2)CC(=O)O

Isomeric SMILES

C1=C(C=NC=C1Br)C2=NNC(=N2)CC(=O)O

InChI

InChI=1S/C9H7BrN4O2/c10-6-1-5(3-11-4-6)9-12-7(13-14-9)2-8(15)16/h1,3-4H,2H2,(H,15,16)(H,12,13,14)