HCID227806

4-Methyl-3-cyanopyridine

4-methylpyridine-3-carbonitrile

C7H6N2118.14 g/molCAS 5444-01-9

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IDENTITY

结构与身份

标准SMILES: Cc1ccncc1C#N
InChIKey: XLAPHZHNODDMDD-UHFFFAOYSA-N
分子式: C7H6N2
平均分子量: 118.14 g/mol
单同位素质量: 118.0530982

COMPUTED

结构计算性质

等待补全

XLogP: 0.9
极性表面积: 36.7 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 133

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 40 条

4-methyl-3-cyanopyridineRefChem:5257013-Cyano-4-methylpyridine4-methylnicotinonitrile5444-01-94-methylpyridine-3-carbonitrile3-Cyano-4-picoline3-Pyridinecarbonitrile, 4-methyl-MFCD00234272NSC 198823-Cyan-4-methylpyridinNSC198824-METHYL-3-PYRIDINECARBONITRILE4-methyl-nicotinonitrileSCHEMBL211613SCHEMBL5586163-Cyano-4-methylpyridine???SCHEMBL1313002SCHEMBL1816708SCHEMBL1817205

REACTIONS

相关反应

35 条

uspto-grants-1979_11 · 10.6084/m9.figshare.5104873.v1 · US04176183

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531549B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09193724B2

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09382244B2

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