N-[5-fluoro-3-iodo-4-(trimethylsilyl)pyridin-2-yl]-2,2-dimethylpropanamide

• ChemBase编号: 54583
• 分子式: C13H20FIN2OSi
• 平均质量: 394.2990732
• 单一同位素质量: 394.03736602
• SMILES: c1(cnc(c(c1[Si](C)(C)C)I)NC(=O)C(C)(C)C)F
• Canonical SMILES: O=C(C(C)(C)C)Nc1ncc(c(c1I)[Si](C)(C)C)F
• InChI: InChI=1S/C13H20FIN2OSi/c1-13(2,3)12(18)17-11-9(15)10(19(4,5)6)8(14)7-16-11/h7H,1-6H3,(H,16,17,18)
• InChIKey: NNHKPEYROUUKOG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[5-fluoro-3-iodo-4-(trimethylsilyl)pyridin-2-yl]-2,2-dimethylpropanamide
• IUPAC传统名: N-[5-fluoro-3-iodo-4-(trimethylsilyl)pyridin-2-yl]-2,2-dimethylpropanamide
• 别名: N-(5-Fluoro-3-iodo-4-(trimethylsilyl)pyridin-2-yl)pivalamide; N-(5-Fluoro-3-iodo-4-(trimethylsilyl)pyridin-2-yl) pivalamide; N-(5-Fluoro-3-iodo-4-(trimethylsilyl)pyridin-2-yl)pivalamide

登记号

• MDL号: MFCD18803497
• PubChem SID: 162059346
• PubChem CID: 50986338

理论计算性质

• Acid pKa: 11.680283
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.329199
• LogD (pH = 7.4): 5.329178
• Log P: 5.3292
• 摩尔折射率: 82.4225 cm^3
• 极化性: 33.21079 Å^3
• 极化表面积: 41.99 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C13H20FIN2OSi

详细说明

Sigma Aldrich - ADE000206

Other Notes
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