2-chloro-4-iodo-5-methyl-3-(trimethylsilyl)pyridine

• ChemBase编号: 50590
• 分子式: C9H13ClINSi
• 平均质量: 325.64919
• 单一同位素质量: 324.95505163
• SMILES: c1(cnc(c(c1I)[Si](C)(C)C)Cl)C
• Canonical SMILES: Cc1cnc(c(c1I)[Si](C)(C)C)Cl
• InChI: InChI=1S/C9H13ClINSi/c1-6-5-12-9(10)8(7(6)11)13(2,3)4/h5H,1-4H3
• InChIKey: COWFPCLCFDUTGB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-4-iodo-5-methyl-3-(trimethylsilyl)pyridine
• IUPAC传统名: 2-chloro-4-iodo-5-methyl-3-(trimethylsilyl)pyridine
• 别名: 2-Chloro-4-iodo-5-methyl-3-(trimethylsilyl)pyridine; 2-Chloro-4-iodo-5-methyl-3-(trimethylsilyl)-pyridine; 2-Chloro-4-iodo-5-methyl-3-(trimethylsilyl)pyridine

登记号

• MDL号: MFCD13563069
• PubChem SID: 162055353
• PubChem CID: 46318133

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.6657953
• LogD (pH = 7.4): 4.6658
• Log P: 4.6658
• 摩尔折射率: 64.2345 cm^3
• 极化性: 26.76011 Å^3
• 极化表面积: 12.89 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

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

• 纯度: 97%
• Empirical Formula (Hill Notation): C9H13ClINSi

详细说明

Sigma Aldrich - ADE000782

Other Notes
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