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

• ChemBase ID: 270053
• Molecular Formular: C8H7BrN2
• Molecular Mass: 211.05858
• Monoisotopic Mass: 209.97926023
• SMILES: n12c(nc(c1)C)ccc(c2)Br
• Canonical SMILES: Brc1ccc2n(c1)cc(n2)C
• InChI: InChI=1S/C8H7BrN2/c1-6-4-11-5-7(9)2-3-8(11)10-6/h2-5H,1H3
• InChIKey: TVHRDJPRECFZQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09800594
• PubChem SID: 164325963
• PubChem CID: 12428960

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7689312
• LogD (pH = 7.4): 1.6157402
• Log P: 1.6596723
• Molar Refractivity: 48.1507 cm^3
• Polarizability: 17.8655 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.548

Product Information

• Purity: 95%