2,3,5,6-tetrafluoro-4-methoxypyridine

• ChemBase编号: 311020
• 分子式: C6H3F4NO
• 平均质量: 181.0877328
• 单一同位素质量: 181.0150766
• SMILES: n1c(c(c(c(c1F)F)OC)F)F
• Canonical SMILES: COc1c(F)c(F)nc(c1F)F
• InChI: InChI=1S/C6H3F4NO/c1-12-4-2(7)5(9)11-6(10)3(4)8/h1H3
• InChIKey: PBQDQTXTAWOJPP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3,5,6-tetrafluoro-4-methoxypyridine
• IUPAC传统名: 2,3,5,6-tetrafluoro-4-methoxypyridine
• 别名: 2,3,5,6-tetrafluoro-4-methoxypyridine

登记号

• CAS号: 2375-90-8
• MDL号: MFCD08691738

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.9565712
• LogD (pH = 7.4): 1.9565712
• Log P: 1.9565712
• 摩尔折射率: 33.2593 cm^3
• 极化性: 11.411359 Å^3
• 极化表面积: 22.12 Å^2