3-(4-fluorophenyl)-6-(6-methoxypyridin-3-yl)pyridazine

• ChemBase ID: 400946
• Molecular Formular: C16H12FN3O
• Molecular Mass: 281.2843832
• Monoisotopic Mass: 281.09644024
• SMILES: n1nc(c2ccc(cc2)F)ccc1c1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)c1ccc(nn1)c1ccc(cc1)F
• InChI: InChI=1S/C16H12FN3O/c1-21-16-9-4-12(10-18-16)15-8-7-14(19-20-15)11-2-5-13(17)6-3-11/h2-10H,1H3
• InChIKey: ROBIATHRJXJVEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)-6-(6-methoxypyridin-3-yl)pyridazine
• IUPAC Traditional name: 3-(4-fluorophenyl)-6-(6-methoxypyridin-3-yl)pyridazine
• Synonyms: 3-(4-fluorophenyl)-6-(6-methoxypyridin-3-yl)pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.203571
• LogD (pH = 7.4): 3.203768
• Log P: 3.2037706
• Molar Refractivity: 78.129 cm^3
• Polarizability: 31.734919 Å^3
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.08
• LOG S: -3.03
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 3