HCID3725165

2-Cyano-4-methylpyridin-1-ium-1-olate

4-methyl-1-oxidopyridin-1-ium-2-carbonitrile

C7H6N2O134.14 g/molCAS 170487-39-5

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IDENTITY

结构与身份

标准SMILES: Cc1cc[n+]([O-])c(C#N)c1
InChIKey: MRQIJKZOIOOQIC-UHFFFAOYSA-N
分子式: C7H6N2O
平均分子量: 134.14 g/mol
单同位素质量: 134.04801282

COMPUTED

结构计算性质

已同步

XLogP: 0.3
极性表面积: 49.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 160

ALIASES

名称与别名

共 14 条

2-Cyano-4-methylpyridine 1-oxide170487-39-52-Cyano-4-methylpyridin-1-ium-1-olate2-Pyridinecarbonitrile,4-methyl-,1-oxide(9CI)4-methyl-1-oxidopyridin-1-ium-2-carbonitrile2-cyano-4-methylpyridine-1-oxidestarbld0047591SCHEMBL8886457SCHEMBL31703320TQP1203MRQIJKZOIOOQIC-UHFFFAOYSA-N2-Cyano-4-methylpyridine-N-oxideAKOS0062739964-Methyl-2-Pyridinecarbonitrile 1-Oxide

REACTIONS