{5-methylimidazo[1,2-a]pyridin-3-yl}methanol

• ChemBase ID: 143668
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: Cc1cccc2n1c(cn2)CO
• Canonical SMILES: OCc1cnc2n1c(C)ccc2
• InChI: InChI=1S/C9H10N2O/c1-7-3-2-4-9-10-5-8(6-12)11(7)9/h2-5,12H,6H2,1H3
• InChIKey: MVDFZQQVFPAFCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-methylimidazo[1,2-a]pyridin-3-yl}methanol
• IUPAC Traditional name: {5-methylimidazo[1,2-a]pyridin-3-yl}methanol
• Synonyms: (5-Methylimidazo[1,2-a]pyridin-3-yl)methanol; (5-methylimidazo[1,2-a]pyridin-3-yl)methanol

Database IDs

• CAS Number: 178488-39-6
• MDL Number: MFCD09864459
• PubChem SID: 162237885
• PubChem CID: 10844723

CALCULATED PROPERTIES

• Acid pKa: 14.509432
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4851208
• LogD (pH = 7.4): 0.09023876
• Log P: 0.11176211
• Molar Refractivity: 47.7795 cm^3
• Polarizability: 17.503977 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C9H10N2O

DETAILS

Sigma Aldrich - CBR00499

Other Notes
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