1186369-13-0 ((Ethyl 5-(Pyridin-3-yl)thiophene-2-carboxylate)

CAS号:
1186369-13-0
英文名称:
Ethyl 5-(Pyridin-3-yl)thiophene-2-carboxylate
分子式:
C12H11NO2S
分子量:
233.286241769791

Ethyl 5-(Pyridin-3-yl)thiophene-2-carboxylate(1186369-13-0)名称与标识符

名称

英文别名:
Ethyl 5-(Pyridin-3-yl)thiophene-2-carboxylate;Ethyl5-(Pyridin-3-yl)thiophene-2-carboxylate;

标识符

MDL:
MFCD13152505
InChIKey:
KIGIGJYDMFVWTK-UHFFFAOYSA-N
Inchi:
1S/C12H11NO2S/c1-2-15-12(14)11-6-5-10(16-11)9-4-3-7-13-8-9/h3-8H,2H2,1H3
SMILES:
S1C(C(=O)OCC)=CC=C1C1C=NC=CC=1

Ethyl 5-(Pyridin-3-yl)thiophene-2-carboxylate(1186369-13-0)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 重原子数量 : 16
  • 复杂度 : 247
  • 疏水参数计算参考值(XlogP) : 2.7
  • 拓扑分子极性表面积 : 67.4

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