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

• ChemBase ID: 240095
• Molecular Formular: C8H7Cl3N2
• Molecular Mass: 237.51358
• Monoisotopic Mass: 235.96748127
• SMILES: n12c(nc(c1)CCl)ccc(c2)Cl.Cl
• Canonical SMILES: ClCc1cn2c(n1)ccc(c2)Cl.Cl
• InChI: InChI=1S/C8H6Cl2N2.ClH/c9-3-7-5-12-4-6(10)1-2-8(12)11-7;/h1-2,4-5H,3H2;1H
• InChIKey: CWHOCMFLFPPMHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 502841-53-4
• MDL Number: MFCD07841696
• PubChem SID: 164296005
• PubChem CID: 16282440

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5192369
• LogD (pH = 7.4): 2.019279
• Log P: 2.032308
• Molar Refractivity: 50.0859 cm^3
• Polarizability: 18.870821 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 - 202°C
• Hydrophobicity(logP): 2.491

Product Information

• Purity: 95%
• Salt Data: HCl