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CS-W001157 4
Total: USD 88.00

3-Pyridineacetic acid

  • CAS No. 501-81-5

  • Cat. No. CS-W016522
  • Purity≥98%
  • MDL No.MFCD00066302

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

3-Pyridineacetic acid|CS-W016522

Structure of 501-81-5

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General Information

  • CAS No. 501-81-5
  • Cat. No. CS-W016522
  • Purity ≥98%
  • MDL No. MFCD00066302
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₂
  • Molecular Weight 137.14
  • Synonym(s) None
  • SMILES O=C(O)CC1=CN=CC=C1

Description

3-Pyridineacetic acid integrates a pyridine ring with a carboxylic acid side chain, offering enhanced solubility and metabolic stability. This structure enables direct conjugation in bioconjugation workflows and serves as a robust scaffold for drug discovery. The molecule features moderate electron density at the para-position, facilitating selective functionalization under mild conditions.

Synthesis

  • Route1
    • 3-Pyridylacetic acid hydrochloride Risedronate  Impurity|CS-0229121
      6419-36-9
    • ~99%
    • In-stock
      3-Pyridineacetic acid|CS-W016522
      501-81-5

    References

    • Grelan Pharmaceutical Co., Ltd. Patent: EP1559716 A1, 2005 ; Location in patent: Page/Page column 20 ; EP 1559716 A1
  • Route2
    • null|null
      5423-64-3
    • ~%
    • In-stock
      3-Pyridineacetic acid|CS-W016522
      501-81-5

    References

    • Malan; Dean Journal of the American Chemical Society, 1947 , vol. 69, p. 1797
  • Route3
    • Homoquinolinic acid|CS-0020449
      490-75-5
    • ~%
    • In-stock
      3-Pyridineacetic acid|CS-W016522
      501-81-5

    References

    • Miescher; Kaegi Helvetica Chimica Acta, 1941 , vol. 24, p. 1471,1479 Full Text Show Details Carboni Gazzetta Chimica Italiana, 1955 , vol. 85, p. 1194,1198

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

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   0.7087
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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