3-(2,5-difluorophenyl)-6-(1-methyl-1H-imidazol-2-yl)pyridazine

• ChemBase ID: 664420
• Molecular Formular: C14H10F2N4
• Molecular Mass: 272.2528064
• Monoisotopic Mass: 272.08735278
• SMILES: c1(c2nnc(c3c(ccc(c3)F)F)cc2)n(ccn1)C
• Canonical SMILES: Fc1ccc(c(c1)c1ccc(nn1)c1nccn1C)F
• InChI: InChI=1S/C14H10F2N4/c1-20-7-6-17-14(20)13-5-4-12(18-19-13)10-8-9(15)2-3-11(10)16/h2-8H,1H3
• InChIKey: IANVZDYVIMFZML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-difluorophenyl)-6-(1-methyl-1H-imidazol-2-yl)pyridazine
• IUPAC Traditional name: 3-(2,5-difluorophenyl)-6-(1-methylimidazol-2-yl)pyridazine
• Synonyms: 3-(2,5-difluorophenyl)-6-(1-methyl-1H-imidazol-2-yl)pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.608874
• LogD (pH = 7.4): 2.610094
• Log P: 2.6101096
• Molar Refractivity: 81.5425 cm^3
• Polarizability: 27.668558 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.85
• LOG S: -2.77
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2