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

• ChemBase ID: 114734
• Molecular Formular: C6H5N3O
• Molecular Mass: 135.1234
• Monoisotopic Mass: 135.0432618
• SMILES: [nH]1c(nc2c1nccc2)O
• Canonical SMILES: Oc1nc2c([nH]1)nccc2
• InChI: InChI=1S/C6H5N3O/c10-6-8-4-2-1-3-7-5(4)9-6/h1-3H,(H2,7,8,9,10)
• InChIKey: PGDIPOWQYRAOSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 16328-62-4
• MDL Number: MFCD09863989
• PubChem SID: 162101241
• PubChem CID: 519250

CALCULATED PROPERTIES

• Acid pKa: 9.803496
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.78988796
• LogD (pH = 7.4): 0.78829086
• Log P: 0.7899783
• Molar Refractivity: 34.2184 cm^3
• Polarizability: 13.706926 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.52253

Product Information

• Purity: 95+%