2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine

• ChemBase ID: 306775
• Molecular Formular: C9H9ClN2
• Molecular Mass: 180.63416
• Monoisotopic Mass: 180.04542598
• SMILES: c12n(cc(n1)CCl)ccc(c2)C
• Canonical SMILES: ClCc1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C9H9ClN2/c1-7-2-3-12-6-8(5-10)11-9(12)4-7/h2-4,6H,5H2,1H3
• InChIKey: AFFYGLUVFNCIKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine
• Synonyms: 2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 118000-41-2
• MDL Number: MFCD06739275

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3903943
• LogD (pH = 7.4): 1.926818
• Log P: 1.9416848
• Molar Refractivity: 50.3223 cm^3
• Polarizability: 18.708824 Å^3
• Polar Surface Area: 17.3 Å^2