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CS-W001157 4
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5-Fluoro-2-methylisonicotinic acid

  • CAS No. 885588-17-0

  • Cat. No. CS-0061251
  • Molecule weight155.13
  • Purity≥98%
  • MDL No.None

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

5-Fluoro-2-methylisonicotinic acid|CS-0061251

Structure of 885588-17-0

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General Information

  • CAS No. 885588-17-0
  • Cat. No. CS-0061251
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FNO₂
  • Molecular Weight 155.13
  • Synonym(s) 5-fluoro-2-Methyl-4-Pyridinecarboxylic acid
  • SMILES CC1=CC(=C(C=N1)F)C(=O)O

Description

5-Fluoro-2-methylisonicotinic acid features a fluorinated pyridine core with ortho-methyl and para-fluoro substituents, enhancing electron-withdrawal and metabolic stability. This configuration supports integration into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting kinase inhibitors and antimicrobial agents. The compound exhibits favorable solubility and bench-stability under standard conditions.

Application

5-Fluoro-2-methylisonicotinic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of fluorinated heterocycles and bioactive scaffolds. Its ortho-methyl and meta-fluoro substituents provide enhanced metabolic stability and modulated electronic properties. The carboxylic acid functionality facilitates direct coupling reactions or derivatization into amides, esters, and acyl chlorides, offering versatile access to drug candidates. The compound exhibits good bench stability and is readily purified by recrystallization.

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

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   1.22732
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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