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CS-W001157 4
Total: USD 88.00

3-Iodo-1H-pyrazolo[3,4-b]pyridine

  • CAS No. 117007-52-0

  • Cat. No. CS-M2177
  • Purity≥97%
  • MDL No.MFCD09749818

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

3-Iodo-1H-pyrazolo[3,4-b]pyridine|CS-M2177

Structure of 117007-52-0

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General Information

  • CAS No. 117007-52-0
  • Cat. No. CS-M2177
  • Purity ≥97%
  • MDL No. MFCD09749818
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄IN₃
  • Molecular Weight 245.02
  • Synonym(s) 3-Iodo-7-aza-1H-indazole
  • SMILES IC1=NNC2=NC=CC=C21

Description

3-Iodo-1H-pyrazolo[3,4-b]pyridine features a fused heterocyclic core with an iodine substituent at the 3-position, enabling direct functionalization in cross-coupling reactions. This bench-stable scaffold integrates readily into bioactive molecule design, offering enhanced metabolic stability and favorable electronic properties for medicinal chemistry applications.

Synthesis

  • Route1

    References

    • JANSSEN PHARMACEUTICA, N.V. Patent: WO2006/130673 A1, 2006 ; Location in patent: Page/Page column 86 ; WO 2006/130673 A1
  • Route2
    • null|null
      63682-42-8
    • ~68%
    • In-stock
      3-Iodo-1H-pyrazolo[3,4-b]pyridine|CS-M2177
      117007-52-0

    References

    • Kocevar, Marijan; Stanovnik, Branko; Tisler, Miha Monatshefte fuer Chemie, 1988 , vol. 119, p. 597 - 604
  • Route3

    References

    • WO2011/149921 A1, ;

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   41.57
  • LogP   1.5625
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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