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CS-W001157 4
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5-(Trifluoromethyl)-1H-pyrrole-2-carboxylic acid

  • CAS No. 1314400-72-0

  • Cat. No. CS-0037380
  • Purity≥98%
  • MDL No.None

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

5-(Trifluoromethyl)-1H-pyrrole-2-carboxylic acid|CS-0037380

Structure of 1314400-72-0

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General Information

  • CAS No. 1314400-72-0
  • Cat. No. CS-0037380
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄F₃NO₂
  • Molecular Weight 179.10
  • Synonym(s) 5-Trifluoromethyl-1H-Pyrrole-2-Carboxylic Acid
  • SMILES C1=C(C(=O)O)NC(=C1)C(F)(F)F

Description

This trifluoromethyl-substituted pyrrole carboxylic acid features a strongly electron-deficient aromatic core, enhancing its utility in cross-coupling reactions and as a building block for bioactive heterocycles. The carboxylic acid group enables direct derivatization or metal complexation, while the trifluoromethyl moiety imparts metabolic stability and modulates lipophilicity.

Application

5-(Trifluoromethyl)-1H-pyrrole-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and functionalization reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid functionality facilitates direct amidation, esterification, or activation for peptide-like linkages. The compound exhibits good bench stability and compatibility with common synthetic protocols, making it suitable for iterative synthesis workflows in drug discovery programs.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   1.7317
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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