3-[2-(trimethylsilyl)ethynyl]pyridin-4-ol

• ChemBase编号: 44873
• 分子式: C10H13NOSi
• 平均质量: 191.30182
• 单一同位素质量: 191.07664057
• SMILES: c1cncc(c1O)C#C[Si](C)(C)C
• Canonical SMILES: Oc1ccncc1C#C[Si](C)(C)C
• InChI: InChI=1S/C10H13NOSi/c1-13(2,3)7-5-9-8-11-6-4-10(9)12/h4,6,8H,1-3H3,(H,11,12)
• InChIKey: LXXUYRLPYDXQKD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[2-(trimethylsilyl)ethynyl]pyridin-4-ol
• IUPAC传统名: 3-[2-(trimethylsilyl)ethynyl]pyridin-4-ol
• 别名: 3-((Trimethylsilyl)ethynyl)pyridin-4-ol; 3-((Trimethylsilyl)ethynyl)pyridin-4-ol

登记号

• MDL号: MFCD12401652
• PubChem SID: 162049636
• PubChem CID: 46737855

理论计算性质

• Acid pKa: 9.699131
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.4490483
• LogD (pH = 7.4): 2.4474196
• Log P: 2.4495
• 摩尔折射率: 46.1186 cm^3
• 极化性: 21.065277 Å^3
• 极化表面积: 33.12 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): C10H13NOSi

详细说明

Sigma Aldrich - ADE000662

Other Notes
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