HCID2777549

3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-

4-(trifluoromethyl)pyridine-3-carboxylic acid

C7H4F3NO2191.11 g/molCAS 158063-66-2

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cnccc1C(F)(F)F
InChIKey: LMRJHNFECNKDKH-UHFFFAOYSA-N
分子式: C7H4F3NO2
平均分子量: 191.11 g/mol
单同位素质量: 191.01941286

COMPUTED

结构计算性质

等待补全

XLogP: 1.3
极性表面积: 50.2 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 204

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 56 条

158063-66-24-(Trifluoromethyl)pyridine-3-carboxylic acid3-pyridinecarboxylic acid, 4-(trifluoromethyl)-4-Trifluoromethylnicotinic acid4-Trifluoromethylpyridine-3-carboxylic acid04F679X18BDTXSID60380557RefChem:505193DTXCID00331583623-902-14-(Trifluoromethyl)nicotinic acidtfnaMFCD00082626Flonicamid (free acid)4-Trifluoromethyl-nicotinic acid4-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACIDMaybridge1_006267Flonicamid free acid; 4-(Trifluoromethyl)-3-pyridinecarboxylic acid4-(Trifluoromethyl)nicotinicacid4-trifluoromethyl nicotinic acid

REACTIONS

相关反应

53 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732444B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699853B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699853B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846947B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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

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

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