7-chloroimidazo[1,2-a]pyridine

• ChemBase ID: 63137
• Molecular Formular: C7H5ClN2
• Molecular Mass: 152.581
• Monoisotopic Mass: 152.01412585
• SMILES: c12cc(Cl)ccn1ccn2
• Canonical SMILES: Clc1ccn2c(c1)ncc2
• InChI: InChI=1S/C7H5ClN2/c8-6-1-3-10-4-2-9-7(10)5-6/h1-5H
• InChIKey: NGHRUBVFDAKWBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloroimidazo[1,2-a]pyridine
• IUPAC Traditional name: 7-chloroimidazo[1,2-a]pyridine
• Synonyms: 7-Chloroimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 4532-25-6
• MDL Number: MFCD08275126
• PubChem SID: 162028876
• PubChem CID: 19695901

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6708139
• LogD (pH = 7.4): 1.3313978
• Log P: 1.363594
• Molar Refractivity: 40.7412 cm^3
• Polarizability: 15.175698 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%; 95+%