5-[6-(4-fluorophenyl)pyridazin-3-yl]pyridin-3-amine

• ChemBase ID: 444123
• Molecular Formular: C15H11FN4
• Molecular Mass: 266.2730432
• Monoisotopic Mass: 266.09677459
• SMILES: n1nc(c2ccc(cc2)F)ccc1c1cc(N)cnc1
• Canonical SMILES: Fc1ccc(cc1)c1ccc(nn1)c1cncc(c1)N
• InChI: InChI=1S/C15H11FN4/c16-12-3-1-10(2-4-12)14-5-6-15(20-19-14)11-7-13(17)9-18-8-11/h1-9H,17H2
• InChIKey: VQGPBTGMHPKUDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[6-(4-fluorophenyl)pyridazin-3-yl]pyridin-3-amine
• IUPAC Traditional name: 5-[6-(4-fluorophenyl)pyridazin-3-yl]pyridin-3-amine
• Synonyms: 5-[6-(4-fluorophenyl)pyridazin-3-yl]pyridin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8772864
• LogD (pH = 7.4): 1.9372238
• Log P: 1.9380584
• Molar Refractivity: 76.0527 cm^3
• Polarizability: 30.364729 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.56
• LOG S: -1.62
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 2