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

• ChemBase ID: 79053
• Molecular Formular: C14H9Cl2N3O
• Molecular Mass: 306.14676
• Monoisotopic Mass: 305.01226728
• SMILES: n12c(c(C)nc1ccc(n2)Cl)C(=O)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C(=O)c1c(C)nc2n1nc(Cl)cc2
• InChI: InChI=1S/C14H9Cl2N3O/c1-8-13(14(20)9-2-4-10(15)5-3-9)19-12(17-8)7-6-11(16)18-19/h2-7H,1H3
• InChIKey: XQHKFAHWEJLFKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00117561
• PubChem SID: 162043816
• PubChem CID: 2774639

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5838468
• LogD (pH = 7.4): 3.5918603
• Log P: 3.5919635
• Molar Refractivity: 89.489 cm^3
• Polarizability: 29.670078 Å^3
• Polar Surface Area: 47.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true