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

• ChemBase ID: 65989
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: n12c(nc(c1CO)C)cccc2
• Canonical SMILES: OCc1c(C)nc2n1cccc2
• InChI: InChI=1S/C9H10N2O/c1-7-8(6-12)11-5-3-2-4-9(11)10-7/h2-5,12H,6H2,1H3
• InChIKey: SEKFTKBRYHPGEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 30489-44-2
• MDL Number: MFCD07368506
• PubChem SID: 162031728
• PubChem CID: 7060539

CALCULATED PROPERTIES

• Acid pKa: 14.612826
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5422739
• LogD (pH = 7.4): 0.02687087
• Log P: 0.04357095
• Molar Refractivity: 47.2213 cm^3
• Polarizability: 17.50558 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157-158°C; 158 - 160 °C; 158-160°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: >95%; 97%