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CS-W001157 4
Total: USD 88.00

2-Hydroxy-6-methylisonicotinic acid

  • CAS No. 86454-13-9

  • Cat. No. CS-W010942
  • Purity≥97%
  • MDL No.MFCD02682019

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

2-Hydroxy-6-methylisonicotinic acid|CS-W010942

Structure of 86454-13-9

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General Information

  • CAS No. 86454-13-9
  • Cat. No. CS-W010942
  • Purity ≥97%
  • MDL No. MFCD02682019
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₃
  • Molecular Weight 153.14
  • Synonym(s) NSC 124849
  • SMILES O=C(O)C1=CC(C)=NC(O)=C1

Description

2-Hydroxy-6-methylisonicotinic acid features a strategically positioned hydroxyl group adjacent to a methyl-substituted pyridine ring, enabling direct coordination in metal-ligand assemblies. This ortho-hydroxy configuration enhances chelation potential while maintaining solubility under standard conditions. The compound serves as a modular building block for bioactive heterocycles and functional materials.

Application

2-Hydroxy-6-methylisonicotinic acid serves as a versatile building block for heterocyclic synthesis, particularly in the construction of bioactive scaffolds. Its ortho-hydroxyl and methyl-substituted pyridine framework enables reliable metal coordination and facilitates downstream functionalization via esterification, amidation, or coupling reactions. The compound exhibits good bench stability and is amenable to purification by recrystallization, making it well-suited for use in medicinal chemistry campaigns and process development.

Synthesis

  • Route1
    • Methyl 3-cyano-2-hydroxy-6-methylisonicotinate|CS-0328441
      18724-73-7
    • ~98%
    • In-stock
      2-Hydroxy-6-methylisonicotinic acid|CS-W010942
      86454-13-9

    References

    • Schmidt, Gunther; Reber, Stefan; Bolli, Martin H.; Abele, Stefan Organic Process Research and Development, 2012 , vol. 16, # 4 p. 595 - 604
  • Route2

    References

    • Bulletin de la Societe Chimique de France, , p. 687,691
  • Route3

    References

    • Organic Process Research and Development, , vol. 16, # 4 p. 595 - 604

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   70.42
  • LogP   0.79382
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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