HCID44574293

2-chloro-N-(5-cyano-2-pyridinyl)acetamide

C8H6ClN3O195.6 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(NC(=O)CCl)nc1
InChIKey: KGHYTOVPVFTVNF-UHFFFAOYSA-N
分子式: C8H6ClN3O
平均分子量: 195.6 g/mol
单同位素质量: 195.0199395

COMPUTED

结构计算性质

已同步

XLogP: 0.7
极性表面积: 65.8 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 235

ALIASES

名称与别名

共 10 条

2-chloro-N-(5-cyanopyridin-2-yl)acetamide2-chloro-N-(5-cyano-2-pyridinyl)acetamide875315-36-9CHEMBL466836SCHEMBL1428781KGHYTOVPVFTVNF-UHFFFAOYSA-NAKOS005266326DB-3032902-Chloro-N-(5-cyano-pyridin-2-yl)-acetamideAN-584/43465570

REACTIONS

参与反应

4 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 (7/10) · 10.1039/C8SC04228D

查看

uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08329729B2

查看

uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08329729B2

查看