1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-tetrahydro-4(1H)-pyridinone

CAS 339029-35-5 MFCD00231641

化学结构图

339029-35-5
SMILES: O=C1CCN(CC1)C1N=CC(=CC=1Cl)C(F)(F)F

化学属性

Mol. FormulaC11
Mol. Weight279
Melting Point62-65°

别名和识别编码

Chemical Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]tetrahydro-4(1h)-pyridinone
Alfabeta NameCHLOROTRIFLUOROMETHYLPYRIDINYLTETRAHYDROPYRIDINONE H135241[](())---------
MDL NumberMFCD00231641
CAS Number339029-35-5
Chemical Name Translation
Synonym
PubChem Substance ID329790583
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分类

  • {KO} Ketones
  • {SNA} Building Blocks, C11, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Piperidines, Piperidones, Pyridines
  • Building Blocks, C11, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks,

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P301+P310
  • P305+P351+P338
Signal word Danger
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • 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 statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301 Toxic if swallowed 吞食有毒
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36 Irritating to eyes 刺激眼睛

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
1
H-bond Donors
0
LogP
2

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. C11 - Pyridines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Piperidines 哌啶
  5. C11 - Piperidines

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