3H-imidazo[4,5-b]pyridin-2-ylmethanol

• ChemBase ID: 268139
• Molecular Formular: C7H7N3O
• Molecular Mass: 149.14998
• Monoisotopic Mass: 149.05891186
• SMILES: [nH]1c2c(nc1CO)cccn2
• Canonical SMILES: OCc1nc2c([nH]1)nccc2
• InChI: InChI=1S/C7H7N3O/c11-4-6-9-5-2-1-3-8-7(5)10-6/h1-3,11H,4H2,(H,8,9,10)
• InChIKey: HDNNHMQTORIJHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3H-imidazo[4,5-b]pyridin-2-ylmethanol
• IUPAC Traditional name: 3H-imidazo[4,5-b]pyridin-2-ylmethanol
• Synonyms: 3H-imidazo[4,5-b]pyridin-2-ylmethanol

Database IDs

• CAS Number: 24638-20-8
• MDL Number: MFCD05721720
• PubChem SID: 164324049
• PubChem CID: 1282496

CALCULATED PROPERTIES

• Acid pKa: 10.982564
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.28498533
• LogD (pH = 7.4): -0.2849906
• Log P: -0.2848897
• Molar Refractivity: 38.9071 cm^3
• Polarizability: 15.55136 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 212°C
• Hydrophobicity(logP): -0.376

Product Information

• Purity: 95%