1H-imidazo[4,5-b]pyridin-2-amine

• ChemBase ID: 237201
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: n1c([nH]c2c1nccc2)N
• Canonical SMILES: Nc1nc2c([nH]1)cccn2
• InChI: InChI=1S/C6H6N4/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H,(H3,7,8,9,10)
• InChIKey: KXQPVJRJUJJWQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazo[4,5-b]pyridin-2-amine
• IUPAC Traditional name: 1H-imidazo[4,5-b]pyridin-2-amine
• Synonyms: 1H-imidazo[4,5-b]pyridin-2-amine

Database IDs

• MDL Number: MFCD03792824
• PubChem SID: 164293111
• PubChem CID: 179897

CALCULATED PROPERTIES

• Acid pKa: 11.3285
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.104343966
• LogD (pH = 7.4): 0.21573077
• Log P: 0.22216018
• Molar Refractivity: 38.5581 cm^3
• Polarizability: 14.224855 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 268 - 270°C
• Hydrophobicity(logP): 0.571

Product Information

• Purity: 95%