3-(Trifluoromethyl)-2-pyridinecarboxylic acid 3-三氟甲基吡啶-2-羧酸

CAS 87407-12-3 MFCD07375386

化学结构图

87407-12-3
SMILES: OC(=O)C1N=CC=CC=1C(F)(F)F

化学属性

Mol. FormulaC7H4F3NO2
Mol. Weight191.11
Melting Point117-118°

别名和识别编码

Chemical Name3-(Trifluoromethyl)-2-pyridinecarboxylic acid
CAS Number87407-12-3
Alfabeta NameTRIFLUOROMETHYLPYRIDINECARBOXYLICACID 32()---
MDL NumberMFCD07375386
Synonym 3-(Trifluoromethyl)picolinic acid {LY} 3-(Trifluoromethyl)picolinic acid {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic
Chemical Name Translation3-三氟甲基吡啶-2-羧酸
PubChem Substance ID253661119
Reaxys-RN7024516
Canonical SMILESFC(F)(F)C(C=CC=N1)=C1C(O)=O
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分类

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

产品应用

  • Picolinic acid (P437220) derivative used in the synthesis of oxazine derivatives that act as BACE inhibitors for treatment of diabetes and neurological disorders.

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P302+P352+P332+P313+P362+P364
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338+P337+P313
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Danger
Hazard Codes T
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);
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
2

系列性分类


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