6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine

• ChemBase ID: 164252
• Molecular Formular: C13H8Cl2N2
• Molecular Mass: 263.12202
• Monoisotopic Mass: 262.00645363
• SMILES: c1cc(cn2c1nc(c2)c1ccc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)c1nc2n(c1)cc(cc2)Cl
• InChI: InChI=1S/C13H8Cl2N2/c14-10-3-1-9(2-4-10)12-8-17-7-11(15)5-6-13(17)16-12/h1-8H
• InChIKey: CFINUJBABHRHDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
• Synonyms: 6-Chloro-2-(p-chlorophenyl)imidazo[1,2-a]pyridine; 6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine

Database IDs

• CAS Number: 88964-99-2
• PubChem SID: 162258387
• PubChem CID: 717647

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6517951
• LogD (pH = 7.4): 3.9937751
• Log P: 4.0007143
• Molar Refractivity: 70.3102 cm^3
• Polarizability: 27.96735 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Pale Brown Solid