3,6-dibromo-7-methylimidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 290805
• Molecular Formular: C8H7Br2ClN2
• Molecular Mass: 326.41558
• Monoisotopic Mass: 323.86644991
• SMILES: Cc1cc2ncc(Br)n2cc1Br.Cl
• Canonical SMILES: Cc1cc2ncc(n2cc1Br)Br.Cl
• InChI: InChI=1S/C8H6Br2N2.ClH/c1-5-2-8-11-3-7(10)12(8)4-6(5)9;/h2-4H,1H3;1H
• InChIKey: XXNADSNIXZSKRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dibromo-7-methylimidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 3,6-dibromo-7-methylimidazo[1,2-a]pyridine hydrochloride
• Synonyms: 3,6-Dibromo-7-methylimidazo[1,2-a]pyridine hydrochloride

Database IDs

• CAS Number: 1072944-65-0
• PubChem SID: 180676336
• PubChem CID: 46739151

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2592657
• LogD (pH = 7.4): 2.506236
• Log P: 2.5108316
• Molar Refractivity: 56.0052 cm^3
• Polarizability: 20.974573 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%