{3-methylimidazo[1,5-a]pyridin-1-yl}methanol

• ChemBase ID: 275857
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: n12c(c(nc1C)CO)cccc2
• Canonical SMILES: OCc1nc(n2c1cccc2)C
• InChI: InChI=1S/C9H10N2O/c1-7-10-8(6-12)9-4-2-3-5-11(7)9/h2-5,12H,6H2,1H3
• InChIKey: ZBXAQBBZJMRXQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-methylimidazo[1,5-a]pyridin-1-yl}methanol
• IUPAC Traditional name: {3-methylimidazo[1,5-a]pyridin-1-yl}methanol
• Synonyms: {3-methylimidazo[1,5-a]pyridin-1-yl}methanol

Database IDs

• MDL Number: MFCD19381969
• PubChem SID: 164331767
• PubChem CID: 54593894

CALCULATED PROPERTIES

• Acid pKa: 14.388682
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5516462
• LogD (pH = 7.4): -0.46084058
• Log P: -0.15140748
• Molar Refractivity: 47.0711 cm^3
• Polarizability: 18.176104 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.637

Product Information

• Purity: 95%