2-chloroimidazo[1,2-a]pyridine

• ChemBase ID: 251023
• Molecular Formular: C7H5ClN2
• Molecular Mass: 152.581
• Monoisotopic Mass: 152.01412585
• SMILES: n1c2n(cc1Cl)cccc2
• Canonical SMILES: Clc1nc2n(c1)cccc2
• InChI: InChI=1S/C7H5ClN2/c8-6-5-10-4-2-1-3-7(10)9-6/h1-5H
• InChIKey: XDYIGMLMAVDTCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06335049
• PubChem SID: 164306933
• PubChem CID: 2113972

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5634451
• LogD (pH = 7.4): 1.5835091
• Log P: 1.5837712
• Molar Refractivity: 41.8025 cm^3
• Polarizability: 15.23586 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): 1.946

Product Information

• Purity: 95%