N-[2-chloro-6-iodo-4-(trimethylsilyl)pyridin-3-yl]-2,2-dimethylpropanamide

• ChemBase编号: 65598
• 分子式: C13H20ClIN2OSi
• 平均质量: 410.75367
• 单一同位素质量: 410.00781548
• SMILES: c1c(nc(c(c1[Si](C)(C)C)NC(=O)C(C)(C)C)Cl)I
• Canonical SMILES: Ic1nc(Cl)c(c(c1)[Si](C)(C)C)NC(=O)C(C)(C)C
• InChI: InChI=1S/C13H20ClIN2OSi/c1-13(2,3)12(18)17-10-8(19(4,5)6)7-9(15)16-11(10)14/h7H,1-6H3,(H,17,18)
• InChIKey: RNWJJAPSSGPPDV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-chloro-6-iodo-4-(trimethylsilyl)pyridin-3-yl]-2,2-dimethylpropanamide
• IUPAC传统名: N-[2-chloro-6-iodo-4-(trimethylsilyl)pyridin-3-yl]-2,2-dimethylpropanamide
• 别名: N-(2-Chloro-6-iodo-4-(trimethylsilyl)pyridin-3-yl)pivalamide; N-(2-Chloro-6-iodo-4-(trimethylsilyl)-pyridin-3-yl)pivalamide; N-(2-Chloro-6-iodo-4-(trimethylsilyl)pyridin-3-yl)pivalamide

登记号

• MDL号: MFCD20487038
• PubChem SID: 162031337
• PubChem CID: 71299099

理论计算性质

• Acid pKa: 11.6347
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.5769997
• LogD (pH = 7.4): 5.5769753
• Log P: 5.577
• 摩尔折射率: 87.4668 cm^3
• 极化性: 35.502213 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): C13H20ClIN2OSi

详细说明

Sigma Aldrich - ADE000234

Other Notes
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