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CS-W001157 4
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3-Fluoro-2-(pyrimidin-2-yl)benzoic acid

  • CAS No. 1293285-04-7

  • Cat. No. CS-0433595
  • Purity≥95%
  • MDL No.None

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

3-Fluoro-2-(pyrimidin-2-yl)benzoic acid|CS-0433595

Structure of 1293285-04-7

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General Information

  • CAS No. 1293285-04-7
  • Cat. No. CS-0433595
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇FN₂O₂
  • Molecular Weight 218.18
  • Synonym(s) 3-Fluoro-2-(2-pyrimidinyl)benzoic acid
  • SMILES O=C(C1=C(C2=NC=CC=N2)C(F)=CC=C1)O

Description

This fluorinated benzoic acid integrates a pyrimidin-2-yl moiety to enhance target engagement in kinase inhibition studies. The electron-deficient pyrimidine ring pairs with the ortho-fluoro substituent to modulate reactivity and solubility under standard conditions.

Application

3-Fluoro-2-(pyrimidin-2-yl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and API scaffolds. Its ortho-fluorinated aryl core enhances metabolic stability and modulates electronic properties, while the carboxylic acid functionality facilitates direct coupling reactions or derivatization. The pyrimidin-2-yl group provides a robust hydrogen-bonding acceptor site and contributes to favorable pharmacophore geometry. This compound exhibits excellent bench stability and is compatible with standard synthetic workflows, including amide formation, Suzuki-Miyaura coupling, and esterification.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   63.08
  • LogP   1.9809
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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