6-chloro-2-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazine

• ChemBase ID: 79198
• Molecular Formular: C12H6Cl3N3
• Molecular Mass: 298.55514
• Monoisotopic Mass: 296.96273025
• SMILES: n12c(nc(c1)c1ccc(c(c1)Cl)Cl)ccc(n2)Cl
• Canonical SMILES: Clc1ccc2n(n1)cc(n2)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C12H6Cl3N3/c13-8-2-1-7(5-9(8)14)10-6-18-12(16-10)4-3-11(15)17-18/h1-6H
• InChIKey: LJPLDOFKFDIDIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazine
• IUPAC Traditional name: 6-chloro-2-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazine
• Synonyms: 6-chloro-2-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazine

Database IDs

• MDL Number: MFCD00206086
• PubChem SID: 162043961
• PubChem CID: 2774825

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6681323
• LogD (pH = 7.4): 4.717687
• Log P: 4.7183595
• Molar Refractivity: 84.0135 cm^3
• Polarizability: 29.068954 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true