HCID59205178

3-{3-[(3-Fluoro-4-methoxy-phenyl)-hydroxy-methyl]-pyridin-4-yl)-benzonitrile

3-[3-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile

C20H15FN2O2334.3 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(C(O)c2cnccc2-c2cccc(C#N)c2)cc1F
InChIKey: BIDRALFPEYKSEE-UHFFFAOYSA-N
分子式: C20H15FN2O2
平均分子量: 334.3 g/mol
单同位素质量: 334.11175589

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 66.1 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 4
重原子: 25
形式电荷: 0
复杂度: 480

ALIASES

名称与别名

共 4 条

3-{3-[(3-fluoro-4-methoxy-phenyl)-hydroxy-methyl]-pyridin-4-yl)-benzonitrile3-{3-[(3-fluoro-4-methoxy-phenyl)-hydroxy-methyl]-pyridin-4-yl}-benzonitrileSCHEMBL3059538BIDRALFPEYKSEE-UHFFFAOYSA-N

REACTIONS

参与反应

3 条

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

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uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07790895B2

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uspto-grants-2010_03 · 10.6084/m9.figshare.5104873.v1 · US07671065B2

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