{6,8-dichloroimidazo[1,2-a]pyridin-2-yl}methanol

• ChemBase ID: 267031
• Molecular Formular: C8H6Cl2N2O
• Molecular Mass: 217.05204
• Monoisotopic Mass: 215.98571818
• SMILES: n12c(nc(c1)CO)c(cc(c2)Cl)Cl
• Canonical SMILES: OCc1cn2c(n1)c(Cl)cc(c2)Cl
• InChI: InChI=1S/C8H6Cl2N2O/c9-5-1-7(10)8-11-6(4-13)3-12(8)2-5/h1-3,13H,4H2
• InChIKey: UQMZXSKGXBNAJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6,8-dichloroimidazo[1,2-a]pyridin-2-yl}methanol
• IUPAC Traditional name: {6,8-dichloroimidazo[1,2-a]pyridin-2-yl}methanol
• Synonyms: {6,8-dichloroimidazo[1,2-a]pyridin-2-yl}methanol

Database IDs

• MDL Number: MFCD16040116
• PubChem SID: 164322941
• PubChem CID: 47002907

CALCULATED PROPERTIES

• Acid pKa: 14.230124
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2097588
• LogD (pH = 7.4): 1.2807708
• Log P: 1.2817609
• Molar Refractivity: 51.8397 cm^3
• Polarizability: 19.628431 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177 - 179°C
• Hydrophobicity(logP): 1.808

Product Information

• Purity: 95%