2-(chloromethyl)-5-methylimidazo[1,2-a]pyridine

• ChemBase ID: 255120
• Molecular Formular: C9H9ClN2
• Molecular Mass: 180.63416
• Monoisotopic Mass: 180.04542598
• SMILES: n12c(nc(c1)CCl)cccc2C
• Canonical SMILES: ClCc1cn2c(n1)cccc2C
• InChI: InChI=1S/C9H9ClN2/c1-7-3-2-4-9-11-8(5-10)6-12(7)9/h2-4,6H,5H2,1H3
• InChIKey: JDCPXRGFZRCZBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-5-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-(chloromethyl)-5-methylimidazo[1,2-a]pyridine
• Synonyms: 2-(chloromethyl)-5-methylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 118000-39-8
• MDL Number: MFCD03419474
• PubChem SID: 164311030
• PubChem CID: 957612

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0645655
• LogD (pH = 7.4): 1.6123424
• Log P: 1.6278248
• Molar Refractivity: 50.4308 cm^3
• Polarizability: 18.708649 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.267

Product Information

• Purity: 95%