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

• ChemBase ID: 275856
• Molecular Formular: C10H12N2O
• Molecular Mass: 176.21508
• Monoisotopic Mass: 176.09496301
• SMILES: n12c(c(nc1CC)CO)cccc2
• Canonical SMILES: OCc1nc(n2c1cccc2)CC
• InChI: InChI=1S/C10H12N2O/c1-2-10-11-8(7-13)9-5-3-4-6-12(9)10/h3-6,13H,2,7H2,1H3
• InChIKey: YDDVELYLBAHFSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19381968
• PubChem SID: 164331766
• PubChem CID: 54593893

CALCULATED PROPERTIES

• Acid pKa: 14.386662
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.81455785
• LogD (pH = 7.4): 0.29607376
• Log P: 0.54912835
• Molar Refractivity: 51.698 cm^3
• Polarizability: 20.019625 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.166

Product Information

• Purity: 95%