3-(4-fluoro-2-methoxyphenyl)-6-methoxypyridazine

• ChemBase ID: 492582
• Molecular Formular: C12H11FN2O2
• Molecular Mass: 234.2263432
• Monoisotopic Mass: 234.08045582
• SMILES: c1(c(cc(cc1)F)OC)c1nnc(cc1)OC
• Canonical SMILES: COc1cc(F)ccc1c1ccc(nn1)OC
• InChI: InChI=1S/C12H11FN2O2/c1-16-11-7-8(13)3-4-9(11)10-5-6-12(17-2)15-14-10/h3-7H,1-2H3
• InChIKey: YZQDKRNHPVIUNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluoro-2-methoxyphenyl)-6-methoxypyridazine
• IUPAC Traditional name: 3-(4-fluoro-2-methoxyphenyl)-6-methoxypyridazine
• Synonyms: 3-(4-fluoro-2-methoxyphenyl)-6-methoxypyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2306938
• LogD (pH = 7.4): 2.230696
• Log P: 2.230696
• Molar Refractivity: 61.9849 cm^3
• Polarizability: 24.193966 Å^3
• Polar Surface Area: 44.24 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: 1.55
• LOG S: -2.23
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3