2-{3H-imidazo[4,5-b]pyridin-2-yl}pyridine

• ChemBase ID: 120834
• Molecular Formular: C11H8N4
• Molecular Mass: 196.20802
• Monoisotopic Mass: 196.07489628
• SMILES: c1([nH]c2c(n1)cccn2)c1ncccc1
• Canonical SMILES: c1ccc(nc1)c1nc2c([nH]1)nccc2
• InChI: InChI=1S/C11H8N4/c1-2-6-12-8(4-1)11-14-9-5-3-7-13-10(9)15-11/h1-7H,(H,13,14,15)
• InChIKey: FUJYCICMNZZWCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3H-imidazo[4,5-b]pyridin-2-yl}pyridine
• IUPAC Traditional name: 2-{3H-imidazo[4,5-b]pyridin-2-yl}pyridine
• Synonyms: 2-(pyridin-2-yl)-3H-imidazo[4,5-b]pyridine

Database IDs

• PubChem SID: 162215187
• PubChem CID: 6612277

CALCULATED PROPERTIES

• Acid pKa: 10.320305
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6021286
• LogD (pH = 7.4): 1.6017823
• Log P: 1.6022418
• Molar Refractivity: 65.3369 cm^3
• Polarizability: 22.487667 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true