6-bromo-2-chloro-4-[2-(trimethylsilyl)ethynyl]pyridin-3-amine

• ChemBase编号: 50530
• 分子式: C10H12BrClN2Si
• 平均质量: 303.65818
• 单一同位素质量: 301.96416461
• SMILES: c1c(nc(c(c1C#C[Si](C)(C)C)N)Cl)Br
• Canonical SMILES: Brc1nc(Cl)c(c(c1)C#C[Si](C)(C)C)N
• InChI: InChI=1S/C10H12BrClN2Si/c1-15(2,3)5-4-7-6-8(11)14-10(12)9(7)13/h6H,13H2,1-3H3
• InChIKey: OAKKZZHXYRPKKE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-bromo-2-chloro-4-[2-(trimethylsilyl)ethynyl]pyridin-3-amine
• IUPAC传统名: 6-bromo-2-chloro-4-[2-(trimethylsilyl)ethynyl]pyridin-3-amine
• 别名: 6-Bromo-2-chloro-4-((trimethylsilyl)ethynyl)pyridin-3-amine; 6-Bromo-2-chloro-4-((trimethylsilyl)ethynyl)-pyridin-3-amine; 6-Bromo-2-chloro-4-((trimethylsilyl)ethynyl)pyridin-3-amine

登记号

• MDL号: MFCD13176630
• PubChem SID: 162055293
• PubChem CID: 46737897

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.0287
• LogD (pH = 7.4): 4.0287
• Log P: 4.0287
• 摩尔折射率: 63.1692 cm^3
• 极化性: 26.4533 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 2
• 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): C10H12BrClN2Si

详细说明

Sigma Aldrich - ADE000715

Other Notes
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