HCID59578390

4-(5-Amino-pyridin-3-yl)-2-chloro-benzonitrile

4-(5-amino-3-pyridinyl)-2-chlorobenzonitrile

C12H8ClN3229.66 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: N#Cc1ccc(-c2cncc(N)c2)cc1Cl
InChIKey: XRJQECLVGBOXMP-UHFFFAOYSA-N
分子式: C12H8ClN3
平均分子量: 229.66 g/mol
单同位素质量: 229.040675

COMPUTED

结构计算性质

等待补全

XLogP: 2.1
极性表面积: 62.7 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 285

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

4-(5-Amino-pyridin-3-yl)-2-chloro-benzonitrile1255870-55-34-(5-aminopyridin-3-yl)-2-chlorobenzonitrileSCHEMBL748530XRJQECLVGBOXMP-UHFFFAOYSA-NA1-29565

REACTIONS

参与反应

35 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

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

查看

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

查看

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

查看

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看