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

• ChemBase ID: 143667
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: Cc1cccc2n1cc(n2)CO
• Canonical SMILES: OCc1cn2c(n1)cccc2C
• InChI: InChI=1S/C9H10N2O/c1-7-3-2-4-9-10-8(6-12)5-11(7)9/h2-5,12H,6H2,1H3
• InChIKey: BIUQSIPXUVGMHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 872363-02-5
• MDL Number: MFCD05863392
• PubChem SID: 162237884
• PubChem CID: 821038

CALCULATED PROPERTIES

• Acid pKa: 14.280351
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.14272662
• LogD (pH = 7.4): 0.26411507
• Log P: 0.27323288
• Molar Refractivity: 47.3798 cm^3
• Polarizability: 17.504349 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 - CBR00356

Other Notes
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