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CS-W001157 4
Total: USD 88.00

4-Chloro-6-methylnicotinic acid

  • CAS No. 1060805-95-9

  • Cat. No. CS-W005731
  • Purity≥98%
  • MDL No.None

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

4-Chloro-6-methylnicotinic acid|CS-W005731

Structure of 1060805-95-9

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General Information

  • CAS No. 1060805-95-9
  • Cat. No. CS-W005731
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClNO₂
  • Molecular Weight 171.58
  • Synonym(s) 4-chloro-6-methylpyridine-3-carboxylic acid
  • SMILES O=C(O)C1=CN=C(C)C=C1Cl

Description

4-Chloro-6-methylnicotinic acid features a chlorine substituent at the 4-position and a methyl group at the 6-position of the nicotinic acid scaffold. This electron-deficient heterocycle integrates readily into pharmaceutical intermediates, offering enhanced metabolic stability and tailored solubility for synthetic applications in medicinal chemistry workflows.

Application

4-Chloro-6-methylnicotinic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into heterocyclic scaffolds via coupling and cyclization reactions. Its ortho-chloro and meta-methyl substituents provide controlled reactivity for palladium-catalyzed cross-couplings and functional group manipulations, while the carboxylic acid facilitates amide formation and derivatization. The compound exhibits excellent bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis campaigns in API development.

Synthesis

  • Route1

    References

    • Law, Ga-Lai; Man, Cornelia; Parker, David; Walton, James W. Chemical Communications, 2010 , vol. 46, # 14 p. 2391 - 2393

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   1.74162
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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