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CS-W001157 4
Total: USD 88.00

2,6-Dichloro-5-fluoronicotinamide

  • CAS No. 113237-20-0

  • Cat. No. CS-0120187
  • Purity≥98%
  • MDL No.MFCD01571365

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

2,6-Dichloro-5-fluoronicotinamide|CS-0120187

Structure of 113237-20-0

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General Information

  • CAS No. 113237-20-0
  • Cat. No. CS-0120187
  • Purity ≥98%
  • MDL No. MFCD01571365
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃Cl₂FN₂O
  • Molecular Weight 209.01
  • Synonym(s) CPD2809-A1
  • SMILES O=C(N)C1=C(Cl)N=C(Cl)C(F)=C1

Description

2,6-Dichloro-5-fluoronicotinamide features a trifluorinated pyridine core with orthogonal halogen substituents enabling selective coupling in cross-coupling cascades. The electron-deficient amide group enhances reactivity in transition metal catalysis while maintaining bench-stable handling under standard conditions. This scaffold integrates efficiently into bioactive molecule architectures requiring halogen-directed functionalization.

Application

2,6-Dichloro-5-fluoronicotinamide serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. Its orthogonal reactivity profile supports direct coupling with amines and nucleophiles under standard conditions, while the dichloro and fluoro substituents provide strategic handles for further functionalization. Bench-stable and readily purified, it functions effectively in API lead optimization workflows.

Synthesis

  • Route1

    References

    • WO2011/147810 A1, ; Page/Page column 24 ;
  • Route2
    • null|null
      96568-02-4
    • ~%
    • In-stock
      2,6-Dichloro-5-fluoronicotinamide|CS-0120187
      113237-20-0

    References

    • EP2022793 A1, ; Page/Page column 103 ; EP2022793 A1, ; Page/Page column 103 ; EP 2022793 A1
  • Route3

    References

    • US5739342 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

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Computational Chemistry Data

  • TPSA   55.98
  • LogP   1.6264
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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