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

• ChemBase ID: 230003
• Molecular Formular: C8H7ClN2O
• Molecular Mass: 182.60698
• Monoisotopic Mass: 182.02469053
• SMILES: n1c(c(n2c1cccc2)CO)Cl
• Canonical SMILES: OCc1c(Cl)nc2n1cccc2
• InChI: InChI=1S/C8H7ClN2O/c9-8-6(5-12)11-4-2-1-3-7(11)10-8/h1-4,12H,5H2
• InChIKey: BHDSODDUAWUGBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-chloroimidazo[1,2-a]pyridin-3-yl}methanol
• IUPAC Traditional name: {2-chloroimidazo[1,2-a]pyridin-3-yl}methanol
• Synonyms: (2-Chloro-imidazo[1,2-a]pyridin-3-yl)-methanol

Database IDs

• MDL Number: MFCD06660646
• PubChem SID: 164285913
• PubChem CID: 4678178

CALCULATED PROPERTIES

• Acid pKa: 14.297072
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.72971594
• LogD (pH = 7.4): 0.7363375
• Log P: 0.73642266
• Molar Refractivity: 48.4959 cm^3
• Polarizability: 17.724535 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): 0.908

Product Information

• Purity: 95%