6-bromo-8-methylimidazo[1,2-a]pyridine

• ChemBase ID: 308410
• Molecular Formular: C8H7BrN2
• Molecular Mass: 211.05858
• Monoisotopic Mass: 209.97926023
• SMILES: n12c(c(cc(c1)Br)C)ncc2
• Canonical SMILES: Brc1cc(C)c2n(c1)ccn2
• InChI: InChI=1S/C8H7BrN2/c1-6-4-7(9)5-11-3-2-10-8(6)11/h2-5H,1H3
• InChIKey: FUGACMZCEQHBIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-bromo-8-methylimidazo[1,2-a]pyridine
• Synonyms: 6-bromo-8-methylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 217435-65-9
• MDL Number: MFCD06496197

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1514186
• LogD (pH = 7.4): 1.954853
• Log P: 2.0417235
• Molar Refractivity: 48.6004 cm^3
• Polarizability: 17.864223 Å^3
• Polar Surface Area: 17.3 Å^2