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

• ChemBase ID: 269283
• Molecular Formular: C8H7ClN2O
• Molecular Mass: 182.60698
• Monoisotopic Mass: 182.02469053
• SMILES: n12c(c(cc(c1)CO)Cl)ncc2
• Canonical SMILES: OCc1cc(Cl)c2n(c1)ccn2
• InChI: InChI=1S/C8H7ClN2O/c9-7-3-6(5-12)4-11-2-1-10-8(7)11/h1-4,12H,5H2
• InChIKey: VWRGCSQCPZUJCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16817543
• PubChem SID: 164325193
• PubChem CID: 50990669

CALCULATED PROPERTIES

• Acid pKa: 14.762954
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.25863448
• LogD (pH = 7.4): 0.58910567
• Log P: 0.59624434
• Molar Refractivity: 47.5571 cm^3
• Polarizability: 17.677437 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 1.541

Product Information

• Purity: 95%