HCID178499127

6-Hydroxy-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridine-2-carboxylic acid methyl ester

methyl 3-methyl-6-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylate

C15H12F3NO3311.25 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1nc(O)c(-c2cccc(C(F)(F)F)c2)cc1C
InChIKey: MFLDGUGJDWRQHJ-UHFFFAOYSA-N
分子式: C15H12F3NO3
平均分子量: 311.25 g/mol
单同位素质量: 311.07692773

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 55.4 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 3
重原子: 22
形式电荷: 0
复杂度: 549

ALIASES

名称与别名

共 4 条

6-hydroxy-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridine-2-carboxylic acid methyl esterSCHEMBL1420643SCHEMBL14222333-methyl-6-oxo-5-(3-trifluoromethyl-phenyl)-1,6-dihydro-pyridine-2-carboxylic acid methyl ester

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08227613B2

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