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CS-W001157 4
Total: USD 88.00

6-Bromo-4-(trifluoromethyl)nicotinonitrile

  • CAS No. 1807025-03-1

  • Cat. No. CS-0199003
  • Molecule weight251.00
  • Purity≥98%
  • MDL No.None

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

6-Bromo-4-(trifluoromethyl)nicotinonitrile|CS-0199003

Structure of 1807025-03-1

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General Information

  • CAS No. 1807025-03-1
  • Cat. No. CS-0199003
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂BrF₃N₂
  • Molecular Weight 251.00
  • Synonym(s) None
  • SMILES N#CC1=CN=C(Br)C=C1C(F)(F)F

Description

6-Bromo-4-(trifluoromethyl)nicotinonitrile features a trifluoromethyl group and nitrile functionality at meta positions relative to the bromine, creating a highly electron-deficient pyridine core. This combination enables efficient coupling in cross-coupling reactions and facilitates incorporation into bioactive scaffolds requiring strong electron-withdrawing properties.

Application

6-Bromo-4-(trifluoromethyl)nicotinonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles via Pd-catalyzed cross-coupling reactions. Its trifluoromethyl and nitrile groups confer enhanced metabolic stability and favorable pharmacokinetic properties, while the bromine handle facilitates efficient functionalization. The compound exhibits excellent bench stability and compatibility with standard synthetic protocols, making it ideal for rapid scaffold diversification in API development.

Safety Information

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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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.73458
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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