4394-11-0 (3-（吡啶-4-基）吡啶,3-(pyridin-4-yl)pyridine)

快速询单

结构式：

3-（吡啶-4-基）吡啶MOL文件

CAS号：

4394-11-0

中文名称：

3-（吡啶-4-基）吡啶

英文名称：

3-(pyridin-4-yl)pyridine

分子式：

C₁₀H₈N₂

分子量：

156.183921813965

3-（吡啶-4-基）吡啶(4394-11-0)名称与标识符

名称

英文别名：

3,4'-Bipyridine;3-pyridin-4-ylpyridine;3-(pyridin-4-yl)pyridine;4394-11-0;pyridine, 3-(4-pyridyl)-;DTXSID10463263;YTEIHWVCQJZNEN-UHFFFAOYSA-N;SCHEMBL320526;EN300-114808;

标识符

InChIKey：

YTEIHWVCQJZNEN-UHFFFAOYSA-N

Inchi：

1S/C10H8N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1-8H

SMILES：

N1C=CC=C(C=1)C1C=CN=CC=1

3-（吡啶-4-基）吡啶(4394-11-0)物化性质

实验特性

PSA : 25.78

计算特性

精确分子量 : 156.06884
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 156.068748264g/mol
重原子数量 : 12
复杂度 : 130
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.4
拓扑分子极性表面积 : 25.8Å²

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