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

• ChemBase ID: 102047
• Molecular Formular: C8H7ClN2O
• Molecular Mass: 182.60698
• Monoisotopic Mass: 182.02469053
• SMILES: c1(c(n2c(cc1)ncc2)CO)Cl
• Canonical SMILES: OCc1c(Cl)ccc2n1ccn2
• InChI: InChI=1S/C8H7ClN2O/c9-6-1-2-8-10-3-4-11(8)7(6)5-12/h1-4,12H,5H2
• InChIKey: AFULHVWKJIKBNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6-chloroimidazo[1,2-a]pyridin-5-yl}methanol
• IUPAC Traditional name: {6-chloroimidazo[1,2-a]pyridin-5-yl}methanol
• Synonyms: (6-Chloroimidazo[1,2-a]pyridin-5-yl)methanol

Database IDs

• PubChem SID: 162105658
• PubChem CID: 71300152

CALCULATED PROPERTIES

• Acid pKa: 14.366114
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.27553597
• LogD (pH = 7.4): 0.46557385
• Log P: 0.5162455
• Molar Refractivity: 47.4346 cm^3
• Polarizability: 17.659328 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true