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CS-W001157 4
Total: USD 88.00

3-Chloropyridine-4-carboxylic acid

  • CAS No. 88912-27-0

  • Cat. No. CS-W003009
  • Purity≥98%
  • MDL No.MFCD03094685

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

3-Chloropyridine-4-carboxylic acid|CS-W003009

Structure of 88912-27-0

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General Information

  • CAS No. 88912-27-0
  • Cat. No. CS-W003009
  • Purity ≥98%
  • MDL No. MFCD03094685
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClNO₂
  • Molecular Weight 157.55
  • Synonym(s) Acide 3-chloroisonicotinique
  • SMILES OC(=O)c1ccncc1Cl

Description

3-Chloropyridine-4-carboxylic acid features a chlorine atom at the 3-position and a carboxylic acid group at the 4-position of the pyridine ring, enabling direct functionalization in synthetic routes. This electron-deficient heterocycle integrates readily into bioactive scaffolds, offering enhanced solubility and metabolic stability for medicinal chemistry applications.

Application

3-Chloropyridine-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the pyridine ring and carboxylic acid terminus. Its chlorine atom facilitates nucleophilic substitution reactions, while the carboxylic acid group supports amide coupling, esterification, and metal complexation. The compound exhibits bench stability and compatibility with standard purification methods, making it well-suited for use in API development and heterocyclic synthesis workflows.

Synthesis

  • Route1

    References

    • Eli Lilly and Company Patent: US6610704 B1, 2003 ; US 6610704 B1
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 23, p. 64
  • Route3
    • Isonicotinic acid Nicotinic Acid  Impurity|CS-0229405
      55-22-1
    • ~%
    • In-stock
      3-Chloropyridine-4-carboxylic acid|CS-W003009
      88912-27-0

    References

    • Tetrahedron, , vol. 58, # 33 p. 6723 - 6728

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   1.4332
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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