[3-(propan-2-yl)imidazo[1,5-a]pyridin-1-yl]methanol

• ChemBase ID: 275855
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: n1c(n2c(c1CO)cccc2)C(C)C
• Canonical SMILES: OCc1nc(n2c1cccc2)C(C)C
• InChI: InChI=1S/C11H14N2O/c1-8(2)11-12-9(7-14)10-5-3-4-6-13(10)11/h3-6,8,14H,7H2,1-2H3
• InChIKey: ZEYMMSGLROTRFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(propan-2-yl)imidazo[1,5-a]pyridin-1-yl]methanol
• IUPAC Traditional name: {3-isopropylimidazo[1,5-a]pyridin-1-yl}methanol
• Synonyms: [3-(propan-2-yl)imidazo[1,5-a]pyridin-1-yl]methanol

Database IDs

• MDL Number: MFCD19381967
• PubChem SID: 164331765
• PubChem CID: 54593892

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2285517
• LogD (pH = 7.4): 0.88709205
• Log P: 1.0921147
• Molar Refractivity: 56.2725 cm^3
• Polarizability: 21.863644 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.38469

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.565

Product Information

• Purity: 95%