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

• ChemBase ID: 79052
• Molecular Formular: C13H7Cl2N3O
• Molecular Mass: 292.12018
• Monoisotopic Mass: 290.99661722
• SMILES: n12c(cnc1ccc(n2)Cl)C(=O)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C(=O)c1cnc2n1nc(Cl)cc2
• InChI: InChI=1S/C13H7Cl2N3O/c14-9-3-1-8(2-4-9)13(19)10-7-16-12-6-5-11(15)17-18(10)12/h1-7H
• InChIKey: SQCACFSNLBUEOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-(4-chlorobenzoyl)imidazo[1,2-b]pyridazine
• IUPAC Traditional name: 6-chloro-3-(4-chlorobenzoyl)imidazo[1,2-b]pyridazine
• Synonyms: (6-chloroimidazo[1,2-b]pyridazin-3-yl)(4-chlorophenyl)methanone

Database IDs

• MDL Number: MFCD00108117
• PubChem SID: 162043815
• PubChem CID: 2774638

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4502907
• LogD (pH = 7.4): 3.4604619
• Log P: 3.4605932
• Molar Refractivity: 84.8975 cm^3
• Polarizability: 27.912104 Å^3
• Polar Surface Area: 47.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true