5-methoxy-4-(trimethylsilyl)pyridine-3-carbonitrile

• ChemBase编号: 32535
• 分子式: C10H14N2OSi
• 平均质量: 206.31646
• 单一同位素质量: 206.08753961
• SMILES: c1(cncc(c1[Si](C)(C)C)C#N)OC
• Canonical SMILES: COc1cncc(c1[Si](C)(C)C)C#N
• InChI: InChI=1S/C10H14N2OSi/c1-13-9-7-12-6-8(5-11)10(9)14(2,3)4/h6-7H,1-4H3
• InChIKey: ZCNLVKRBBKJZFI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methoxy-4-(trimethylsilyl)pyridine-3-carbonitrile
• IUPAC传统名: 5-methoxy-4-(trimethylsilyl)pyridine-3-carbonitrile
• 别名: 5-Methoxy-4-(trimethylsilyl)nicotinonitrile; 5-Methoxy-4-(trimethylsilyl)nicotinonitrile

登记号

• CAS号: 1138444-11-7
• MDL号: MFCD11857681
• PubChem SID: 160995842
• PubChem CID: 46736776

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.8815861
• LogD (pH = 7.4): 1.8815998
• Log P: 1.8816
• 摩尔折射率: 52.1495 cm^3
• 极化性: 22.23904 Å^3
• 极化表面积: 45.91 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): C10H14N2OSi

详细说明

Sigma Aldrich - ADE000544

Other Notes
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