{6-bromo-1H-imidazo[4,5-b]pyridin-2-yl}methanol

• ChemBase ID: 88104
• Molecular Formular: C7H6BrN3O
• Molecular Mass: 228.04604
• Monoisotopic Mass: 226.96942383
• SMILES: OCc1nc2c(ncc(c2)Br)[nH]1
• Canonical SMILES: OCc1nc2c([nH]1)ncc(c2)Br
• InChI: InChI=1S/C7H6BrN3O/c8-4-1-5-7(9-2-4)11-6(3-12)10-5/h1-2,12H,3H2,(H,9,10,11)
• InChIKey: SRDOBLPQJXFKIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6-bromo-1H-imidazo[4,5-b]pyridin-2-yl}methanol; {6-bromo-3H-imidazo[4,5-b]pyridin-2-yl}methanol
• IUPAC Traditional name: {6-bromo-1H-imidazo[4,5-b]pyridin-2-yl}methanol; {6-bromo-3H-imidazo[4,5-b]pyridin-2-yl}methanol
• Synonyms: {6-bromo-1H-imidazo[4,5-b]pyridin-2-yl}methanol; (6-Bromo-3H-imidazo[4,5-b]pyridin-2-yl)methanol; 6-Bromo-2-(hydroxymethyl)-3H-imidazo[4,5-b]pyridine

Database IDs

• MDL Number: MFCD09750272
• PubChem SID: 162104537
• PubChem CID: 10823202

CALCULATED PROPERTIES

• Acid pKa: 9.340754
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.4410455
• LogD (pH = 7.4): 0.4370617
• Log P: 0.44140545
• Molar Refractivity: 48.1501 cm^3
• Polarizability: 18.4659 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.518

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95%