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CS-W001157 4
Total: USD 88.00

6-Fluoroquinoline-3-carboxylic acid

  • CAS No. 116293-90-4

  • Cat. No. CS-0308406
  • Purity≥98%
  • MDL No.MFCD08437578

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

6-Fluoroquinoline-3-carboxylic acid|CS-0308406

Structure of 116293-90-4

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General Information

  • CAS No. 116293-90-4
  • Cat. No. CS-0308406
  • Purity ≥98%
  • MDL No. MFCD08437578
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆FNO₂
  • Molecular Weight 191.16
  • Synonym(s) 6-Fluoroquinolin-3-carboxylic acid
  • SMILES C1=CC2=NC=C(C=C2C=C1F)C(=O)O

Description

6-Fluoroquinoline-3-carboxylic acid features a fluorine atom at the C6 position of the quinoline core, enhancing electron-withdrawing character and metabolic stability. The carboxylic acid group enables direct coupling reactions and facilitates solubility in polar solvents. This scaffold serves as a key building block in medicinal chemistry for kinase inhibitors and fluorescent probes.

Application

6-Fluoroquinoline-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive scaffolds via standard coupling reactions. Its ortho-fluorine facilitates nucleophilic aromatic substitution, while the carboxylic acid group supports amide, ester, and heterocycle formation. The compound exhibits excellent bench stability and purification compatibility, making it well-suited for iterative synthesis campaigns and API development workflows.

Synthesis

  • Route1

    References

    • JANSSEN PHARMACEUTICA N.V. Patent: WO2004/69792 A2, 2004 ; Location in patent: Page 169 ;

Safety Information

Download SDS
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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.0721
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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