4-{4-[(tert-butyldimethylsilyl)oxy]phenyl}-2-methylpyridine-3-carbonitrile

• ChemBase编号: 309110
• 分子式: C19H24N2OSi
• 平均质量: 324.49216
• 单一同位素质量: 324.16578993
• SMILES: c1(c(c2ccc(O[Si](C(C)(C)C)(C)C)cc2)ccnc1C)C#N
• Canonical SMILES: N#Cc1c(C)nccc1c1ccc(cc1)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C19H24N2OSi/c1-14-18(13-20)17(11-12-21-14)15-7-9-16(10-8-15)22-23(5,6)19(2,3)4/h7-12H,1-6H3
• InChIKey: QFNWSLHZBYELDL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{4-[(tert-butyldimethylsilyl)oxy]phenyl}-2-methylpyridine-3-carbonitrile
• IUPAC传统名: 4-{4-[(tert-butyldimethylsilyl)oxy]phenyl}-2-methylpyridine-3-carbonitrile
• 别名: 4-(4-{[tert-butyl(dimethyl)silyl]oxy}phenyl)-2-methylnicotinonitrile

登记号

• CAS号: 881423-32-1
• MDL号: MFCD14702874

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.337105
• LogD (pH = 7.4): 4.337989
• Log P: 4.338
• 摩尔折射率: 91.1794 cm^3
• 极化性: 38.680332 Å^3
• 极化表面积: 45.91 Å^2