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5-Fluoro-1H-indazole-3-carbaldehyde

  • CAS No. 485841-48-3

  • Cat. No. CS-0060650
  • Molecule weight164.14
  • Purity≥96%
  • MDL No.MFCD06739142

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

5-Fluoro-1H-indazole-3-carbaldehyde|CS-0060650

Structure of 485841-48-3

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General Information

  • CAS No. 485841-48-3
  • Cat. No. CS-0060650
  • Purity ≥96%
  • MDL No. MFCD06739142
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅FN₂O
  • Molecular Weight 164.14
  • Synonym(s) 5-Fluoro indazole-3-carboxaldehyde
  • SMILES O=CC1=NNC2=C1C=C(F)C=C2

Description

5-Fluoro-1H-indazole-3-carbaldehyde features a fluorinated indazole core with an aldehyde functional group at the 3-position, enabling direct incorporation into diverse heterocyclic architectures. This electron-deficient scaffold serves as a key building block for bioactive molecules, particularly in medicinal chemistry and agrochemical development.

Application

5-Fluoro-1H-indazole-3-carbaldehyde serves as a versatile building block for the synthesis of heterocyclic scaffolds in medicinal chemistry. Its electrophilic aldehyde group enables efficient coupling reactions, while the fluorinated indazole core provides enhanced metabolic stability and modulated electronic properties. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns targeting kinase inhibitors and CNS-active compounds.

Synthesis

  • Route1

    References

    • EP2565192 A1, ; Paragraph 0352 ;
  • Route2

    References

    • EP2565192 A1, ;
  • Route3

    References

    • EP2565192 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   45.75
  • LogP   1.5145
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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