3-fluoro-5-[2-(trimethylsilyl)ethynyl]pyridine-2-carbonitrile

• ChemBase编号: 54461
• 分子式: C11H11FN2Si
• 平均质量: 218.3023432
• 单一同位素质量: 218.06755311
• SMILES: c1(cnc(c(c1)F)C#N)C#C[Si](C)(C)C
• Canonical SMILES: N#Cc1ncc(cc1F)C#C[Si](C)(C)C
• InChI: InChI=1S/C11H11FN2Si/c1-15(2,3)5-4-9-6-10(12)11(7-13)14-8-9/h6,8H,1-3H3
• InChIKey: LLWNCDQABKNLAA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluoro-5-[2-(trimethylsilyl)ethynyl]pyridine-2-carbonitrile
• IUPAC传统名: 3-fluoro-5-[2-(trimethylsilyl)ethynyl]pyridine-2-carbonitrile
• 别名: 3-Fluoro-5-((trimethylsilyl)ethynyl)picolinonitrile; 3-Fluoro-5-((trimethylsilyl)ethynyl)-picolinonitrile; 3-Fluoro-5-((trimethylsilyl)ethynyl)picolinonitrile

登记号

• MDL号: MFCD17171328
• PubChem SID: 162059224
• PubChem CID: 49761584

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.0875
• LogD (pH = 7.4): 3.0875
• Log P: 3.0875
• 摩尔折射率: 49.7037 cm^3
• 极化性: 21.977821 Å^3
• 极化表面积: 36.68 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

• Empirical Formula (Hill Notation): C11H11FN2Si

详细说明

Sigma Aldrich - ADE000147

Other Notes
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