3-(Trifluoromethyl)Isonicotinic Acid 3-(三氟甲基)异烟酸

CAS 590371-38-3 MFCD08234940

化学结构图

590371-38-3
SMILES: OC(=O)C1C=CN=CC=1C(F)(F)F

化学属性

Mol. FormulaC7H4F3NO2
Mol. Weight191.11
Melting Point214-215°
Density
Boiling Point

别名和识别编码

Chemical Name3-(Trifluoromethyl)Isonicotinic Acid
CAS Number590371-38-3
Alfabeta NameTRIFLUOROMETHYLPYRIDINECARBOXYLICACID 34()---
MDL NumberMFCD08234940
Synonym 3-(trifluoromethyl)isonicotinic acid
EC Number
Beilstein Registry Number
Chemical Name Translation3-(三氟甲基)异烟酸
PubChem Substance ID329789335
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分类

  • {SNA} Building Blocks, C7, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P301 IF SWALLOWED: 如果吞下去
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
UN Number
RTECS
Packing Group
Hazard statements
  • H301 Toxic if swallowed 吞食有毒

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
3
Rotatable Bonds
1
H-bond Donors
1
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Fluorinated Building Blocks 氟化物砌块
  4. Organic Fluorinated Building Blocks - Fluorinated Building Blocks
  5. Trifluoromethyl 三氟甲基
  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. C7 to C8 - Pyridines

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