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CS-W001157 4
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2-Oxo-6-(trifluoromethyl)-1,2-dihydropyridine-4-carboxylic acid

  • CAS No. 1227580-92-8

  • Cat. No. CS-0198893
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-Oxo-6-(trifluoromethyl)-1,2-dihydropyridine-4-carboxylic acid|CS-0198893

Structure of 1227580-92-8

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General Information

  • CAS No. 1227580-92-8
  • Cat. No. CS-0198893
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO₃
  • Molecular Weight 207.11
  • Synonym(s) 2-Hydroxy-6-(trifluoromethyl)isonicotinic acid
  • SMILES O=C(C(C=C(C(F)(F)F)N1)=CC1=O)O

Description

This electron-deficient dihydropyridine scaffold features a trifluoromethyl group that enhances metabolic stability and lipophilicity, while the carboxylic acid moiety enables direct conjugation or salt formation. The structural motif serves as a key building block in medicinal chemistry for bioactive heterocycles.

Application

2-Oxo-6-(trifluoromethyl)-1,2-dihydropyridine-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds. Its conjugated enone system and electron-deficient pyridine core facilitate nucleophilic additions and transition-metal-catalyzed couplings. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid functionality allows for direct derivatization or salt formation, supporting purification and formulation. This compound demonstrates bench stability and compatibility with standard synthetic workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

  • TPSA   70.16
  • LogP   1.0919
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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