HCID10290901

3-(5-Fluoro-2-pyridyl)-5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole

5-(3-bromo-5-fluorophenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

C13H6BrF2N3O338.11 g/mol

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IDENTITY

结构与身份

标准SMILES: Fc1ccc(-c2noc(-c3cc(F)cc(Br)c3)n2)nc1
InChIKey: VWETXOYVYZDZBH-UHFFFAOYSA-N
分子式: C13H6BrF2N3O
平均分子量: 338.11 g/mol
单同位素质量: 336.96623

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 51.8 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 2
重原子: 20
形式电荷: 0
复杂度: 339

ALIASES

名称与别名

共 4 条

SCHEMBL4188207VWETXOYVYZDZBH-UHFFFAOYSA-N3-(5-Fluoro-2-pyridyl)-5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole5-(3-bromo-5-fluorophenyl)-3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol

REACTIONS

参与反应

6 条

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

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06660753B2

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06660753B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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uspto-grants-2006_09 · 10.6084/m9.figshare.5104873.v1 · US07112595B2

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uspto-grants-2006_09 · 10.6084/m9.figshare.5104873.v1 · US07112595B2

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