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

• ChemBase ID: 42930
• Molecular Formular: C8H7ClN2O
• Molecular Mass: 182.60698
• Monoisotopic Mass: 182.02469053
• SMILES: n12c(nc(c1)CO)ccc(c2)Cl
• Canonical SMILES: OCc1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C8H7ClN2O/c9-6-1-2-8-10-7(5-12)4-11(8)3-6/h1-4,12H,5H2
• InChIKey: NBOXKWPAFWOANI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6-chloroimidazo[1,2-a]pyridin-2-yl}methanol
• IUPAC Traditional name: {6-chloroimidazo[1,2-a]pyridin-2-yl}methanol
• Synonyms: 6-Chloroimidazolo[1,2-a]pyridin-2-yl-methanol; (6-Chloroimidazo[1,2-a]pyridin-2-yl)methanol; (6-Chloroimidazo[1,2-a]pyridin-2-yl)methanol; 6-Chloro-2-(hydroxymethyl)imidazo[1,2-a]pyridine

Database IDs

• CAS Number: 1039416-36-8
• MDL Number: MFCD11840955
• PubChem SID: 162047693
• PubChem CID: 19735707

CALCULATED PROPERTIES

• Acid pKa: 14.27404
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.30513707
• LogD (pH = 7.4): 0.6700504
• Log P: 0.6777162
• Molar Refractivity: 47.0349 cm^3
• Polarizability: 17.653605 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128 °C; 126-128°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%