6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 259504
• Molecular Formular: C8H7BrCl2N2
• Molecular Mass: 281.96458
• Monoisotopic Mass: 279.91696559
• SMILES: n12c(nc(c1)CCl)ccc(c2)Br.Cl
• Canonical SMILES: ClCc1cn2c(n1)ccc(c2)Br.Cl
• InChI: InChI=1S/C8H6BrClN2.ClH/c9-6-1-2-8-11-7(3-10)5-12(8)4-6;/h1-2,4-5H,3H2;1H
• InChIKey: ZSZPMWPHFPYFBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride
• Synonyms: 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride

Database IDs

• MDL Number: MFCD10697624
• PubChem SID: 164315414
• PubChem CID: 42933685

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7008711
• LogD (pH = 7.4): 2.1847427
• Log P: 2.197016
• Molar Refractivity: 52.9039 cm^3
• Polarizability: 19.861397 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.641

Product Information

• Purity: 95%