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

• ChemBase ID: 276297
• Molecular Formular: C9H9ClN2O
• Molecular Mass: 196.63356
• Monoisotopic Mass: 196.0403406
• SMILES: c1(c(n2c(n1)cccc2)C(O)C)Cl
• Canonical SMILES: CC(c1c(Cl)nc2n1cccc2)O
• InChI: InChI=1S/C9H9ClN2O/c1-6(13)8-9(10)11-7-4-2-3-5-12(7)8/h2-6,13H,1H3
• InChIKey: MFKWBQKSSHBRSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-chloroimidazo[1,2-a]pyridin-3-yl}ethan-1-ol
• IUPAC Traditional name: 1-{2-chloroimidazo[1,2-a]pyridin-3-yl}ethanol
• Synonyms: 1-{2-chloroimidazo[1,2-a]pyridin-3-yl}ethan-1-ol

Database IDs

• MDL Number: MFCD19982350
• PubChem SID: 164332207
• PubChem CID: 54594114

CALCULATED PROPERTIES

• Acid pKa: 14.169356
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1467645
• LogD (pH = 7.4): 1.1529186
• Log P: 1.1529976
• Molar Refractivity: 52.9147 cm^3
• Polarizability: 19.555807 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132 - 134°C
• Hydrophobicity(logP): 1.417

Product Information

• Purity: 95%