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

• ChemBase ID: 271651
• Molecular Formular: C9H10Br2N2
• Molecular Mass: 305.9971
• Monoisotopic Mass: 303.92107233
• SMILES: n12c(nc(c1)CBr)cccc2C.Br
• Canonical SMILES: BrCc1cn2c(n1)cccc2C.Br
• InChI: InChI=1S/C9H9BrN2.BrH/c1-7-3-2-4-9-11-8(5-10)6-12(7)9;/h2-4,6H,5H2,1H3;1H
• InChIKey: OUCMQQGQMAVCRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00721076
• PubChem SID: 164327561
• PubChem CID: 16239045

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1893599
• LogD (pH = 7.4): 1.7943856
• Log P: 1.81332
• Molar Refractivity: 53.4143 cm^3
• Polarizability: 19.583244 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230 - 232°C
• Hydrophobicity(logP): 2.687

Product Information

• Purity: 95%