2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-sulfanyl}nicotinic acid

CAS 303149-99-7 MFCD00244738

化学结构图

303149-99-7
SMILES: OC(=O)C1C=CC=NC=1SC1=NC=C(C=C1Cl)C(F)(F)F

化学属性

Mol. FormulaC12H6ClF3N2O2S
Mol. Weight334.70
Melting Point183-185°

别名和识别编码

Chemical Name2-(3-chloro-5-(trifluoromethyl)-2-pyridylthio)pyridine-3-carboxylic acid
Alfabeta NameCHLOROTRIFLUOROMETHYLPYRIDINYLSULFANYLNICOTINICACID 2352[]()-------{}
MDL NumberMFCD00244738
Synonym 2-(3-chloro-5-(trifluoromethyl)-2-pyridylthio)pyridine-3-carboxylic acid
CAS Number303149-99-7
Chemical Name Translation
PubChem Substance ID329789516
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分类

  • {KO} CarboxylicAcids
  • Building Blocks, C12, Chemical Synthesis, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Pyridines
  • {SNA} Building Blocks, C12, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P301+P310
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
3
H-bond Donors
1
LogP
4

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. C12 - Pyridines

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