6,8-dichloro-2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 266803
• Molecular Formular: C8H6Cl4N2
• Molecular Mass: 271.95864
• Monoisotopic Mass: 269.92850892
• SMILES: n12c(nc(c1)CCl)c(cc(c2)Cl)Cl.Cl
• Canonical SMILES: ClCc1cn2c(n1)c(Cl)cc(c2)Cl.Cl
• InChI: InChI=1S/C8H5Cl3N2.ClH/c9-2-6-4-13-3-5(10)1-7(11)8(13)12-6;/h1,3-4H,2H2;1H
• InChIKey: FFDINBXPZXZKPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dichloro-2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 6,8-dichloro-2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride
• Synonyms: 6,8-dichloro-2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride

Database IDs

• MDL Number: MFCD16040065
• PubChem SID: 164322713
• PubChem CID: 47002834

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5201151
• LogD (pH = 7.4): 2.6346629
• Log P: 2.6363528
• Molar Refractivity: 54.8907 cm^3
• Polarizability: 20.851292 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 3.408

Product Information

• Purity: 95%