2-(chloromethyl)-8-methylimidazo[1,2-a]pyridine

• ChemBase ID: 306830
• Molecular Formular: C9H9ClN2
• Molecular Mass: 180.63416
• Monoisotopic Mass: 180.04542598
• SMILES: c12n(cc(n1)CCl)cccc2C
• Canonical SMILES: ClCc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C9H9ClN2/c1-7-3-2-4-12-6-8(5-10)11-9(7)12/h2-4,6H,5H2,1H3
• InChIKey: JMNFYFVRZBKRMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-8-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-(chloromethyl)-8-methylimidazo[1,2-a]pyridine
• Synonyms: 2-(chloromethyl)-8-methylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 182181-42-6
• MDL Number: MFCD00269518

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2404019
• LogD (pH = 7.4): 1.9174128
• Log P: 1.9416848
• Molar Refractivity: 50.3223 cm^3
• Polarizability: 18.70846 Å^3
• Polar Surface Area: 17.3 Å^2