6-bromo-7-methylimidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 75492
• Molecular Formular: C8H8BrClN2
• Molecular Mass: 247.51952
• Monoisotopic Mass: 245.95593795
• SMILES: n1c2n(cc1)cc(c(c2)C)Br.Cl
• Canonical SMILES: Cc1cc2nccn2cc1Br.Cl
• InChI: InChI=1S/C8H7BrN2.ClH/c1-6-4-8-10-2-3-11(8)5-7(6)9;/h2-5H,1H3;1H
• InChIKey: NWHXUPVFXOXFRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-7-methylimidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 6-bromo-7-methylimidazo[1,2-a]pyridine hydrochloride
• Synonyms: 6-Bromo-7-methylimidazo[1,2-a]pyridine hydrochloride 98%

Database IDs

• MDL Number: MFCD09475875
• PubChem SID: 162040410
• PubChem CID: 44118568

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2330889
• LogD (pH = 7.4): 1.9866127
• Log P: 2.0417235
• Molar Refractivity: 48.6004 cm^3
• Polarizability: 17.865717 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant