2-(dichloromethyl)imidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 262086
• Molecular Formular: C8H7Cl3N2
• Molecular Mass: 237.51358
• Monoisotopic Mass: 235.96748127
• SMILES: c1(nc2n(c1)cccc2)C(Cl)Cl.Cl
• Canonical SMILES: ClC(c1nc2n(c1)cccc2)Cl.Cl
• InChI: InChI=1S/C8H6Cl2N2.ClH/c9-8(10)6-5-12-4-2-1-3-7(12)11-6;/h1-5,8H;1H
• InChIKey: QMCXXXOZPLWPGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12913066
• PubChem SID: 164317996
• PubChem CID: 45791968

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8632686
• LogD (pH = 7.4): 2.1666343
• Log P: 2.172448
• Molar Refractivity: 50.5037 cm^3
• Polarizability: 18.828407 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.481

Product Information

• Purity: 95%