2-fluoro-6-(pyrrolidin-1-yl)-3-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase编号: 50596
• 分子式: C14H19FN2Si
• 平均质量: 262.3979632
• 单一同位素质量: 262.13015337
• SMILES: c1(c(nc(cc1)N1CCCC1)F)C#C[Si](C)(C)C
• Canonical SMILES: Fc1nc(ccc1C#C[Si](C)(C)C)N1CCCC1
• InChI: InChI=1S/C14H19FN2Si/c1-18(2,3)11-8-12-6-7-13(16-14(12)15)17-9-4-5-10-17/h6-7H,4-5,9-10H2,1-3H3
• InChIKey: FBJLOPDZKMCJGG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-fluoro-6-(pyrrolidin-1-yl)-3-[2-(trimethylsilyl)ethynyl]pyridine
• IUPAC传统名: 2-fluoro-6-(pyrrolidin-1-yl)-3-[2-(trimethylsilyl)ethynyl]pyridine
• 别名: 2-Fluoro-6-(pyrrolidin-1-yl)-3-((trimethylsilyl)ethynyl)pyridine; 2-Fluoro-6-(pyrrolidin-1-yl)-3-((trimethylsilyl)-ethynyl)pyridine; 2-Fluoro-6-(pyrrolidin-1-yl)-3-((trimethylsilyl)ethynyl)pyridine

登记号

• MDL号: MFCD13563075
• PubChem SID: 162055359
• PubChem CID: 46318139

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.6191993
• LogD (pH = 7.4): 4.6192
• Log P: 4.6192
• 摩尔折射率: 67.6519 cm^3
• 极化性: 27.89872 Å^3
• 极化表面积: 16.13 Å^2
• 可自由旋转的化学键: 3
• 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): C14H19FN2Si

详细说明

Sigma Aldrich - ADE000788

Other Notes
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