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

• ChemBase ID: 246720
• Molecular Formular: C9H9BrN2
• Molecular Mass: 225.08516
• Monoisotopic Mass: 223.9949103
• SMILES: n12c(nc(c1)C)c(cc(c2)Br)C
• Canonical SMILES: Brc1cc(C)c2n(c1)cc(n2)C
• InChI: InChI=1S/C9H9BrN2/c1-6-3-8(10)5-12-4-7(2)11-9(6)12/h3-5H,1-2H3
• InChIKey: XXIFFUAPZHTUJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14547282
• PubChem SID: 164302630
• PubChem CID: 71683729

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1159115
• LogD (pH = 7.4): 2.098072
• Log P: 2.1730936
• Molar Refractivity: 53.1919 cm^3
• Polarizability: 19.608833 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 3.047

Product Information

• Purity: 95%