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

• ChemBase ID: 75495
• Molecular Formular: C7H6Cl2N2
• Molecular Mass: 189.04194
• Monoisotopic Mass: 187.99080356
• SMILES: n1c2n(cc1)cc(cc2)Cl.Cl
• Canonical SMILES: Clc1ccc2n(c1)ccn2.Cl
• InChI: InChI=1S/C7H5ClN2.ClH/c8-6-1-2-7-9-3-4-10(7)5-6;/h1-5H;1H
• InChIKey: TZDHZKWGTHQGTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 6-chloroimidazo[1,2-a]pyridine hydrochloride
• Synonyms: 6-Chloroimidazo[1,2-a]pyridine hydrochloride 98%

Database IDs

• CAS Number: 957035-24-4
• MDL Number: MFCD09475876
• PubChem SID: 162040413
• PubChem CID: 44118778

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.55753565
• LogD (pH = 7.4): 1.3091955
• Log P: 1.363594
• Molar Refractivity: 40.7412 cm^3
• Polarizability: 15.168732 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold