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

• ChemBase ID: 79199
• Molecular Formular: C12H7ClN4O2
• Molecular Mass: 274.66258
• Monoisotopic Mass: 274.02575316
• SMILES: n12c(nc(c1)c1cc(ccc1)[N+](=O)[O-])ccc(n2)Cl
• Canonical SMILES: Clc1ccc2n(n1)cc(n2)c1cccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C12H7ClN4O2/c13-11-4-5-12-14-10(7-16(12)15-11)8-2-1-3-9(6-8)17(18)19/h1-7H
• InChIKey: GZWJARVERQGPGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00275175
• PubChem SID: 162043962
• PubChem CID: 2774826

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4004493
• LogD (pH = 7.4): 3.449588
• Log P: 3.4502544
• Molar Refractivity: 81.7286 cm^3
• Polarizability: 27.162594 Å^3
• Polar Surface Area: 76.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true