5-chloroimidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 70467
• Molecular Formular: C7H6Cl2N2
• Molecular Mass: 189.04194
• Monoisotopic Mass: 187.99080356
• SMILES: c12cccc(n1ccn2)Cl.Cl
• Canonical SMILES: Clc1cccc2n1ccn2.Cl
• InChI: InChI=1S/C7H5ClN2.ClH/c8-6-2-1-3-7-9-4-5-10(6)7;/h1-5H;1H
• InChIKey: HDGYDQGPMRUIQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloroimidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 5-chloroimidazo[1,2-a]pyridine hydrochloride
• Synonyms: 5-Chloroimidazo[1,2-a]pyridine hydrochloride

Database IDs

• CAS Number: 3931-68-8
• MDL Number: MFCD13659350
• PubChem SID: 162036183
• PubChem CID: 21994174

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.32600468
• LogD (pH = 7.4): 1.0365515
• Log P: 1.0786047
• Molar Refractivity: 40.7423 cm^3
• Polarizability: 15.190534 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%