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CS-W001157 4
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2-Bromo-6-methylisonicotinonitrile

  • CAS No. 25462-99-1

  • Cat. No. CS-0377034
  • Purity≥98%
  • MDL No.None

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

2-Bromo-6-methylisonicotinonitrile|CS-0377034

Structure of 25462-99-1

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General Information

  • CAS No. 25462-99-1
  • Cat. No. CS-0377034
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrN₂
  • Molecular Weight 197.03
  • Synonym(s) None
  • SMILES N#CC1=CC(Br)=NC(C)=C1

Description

2-Bromo-6-methylisonicotinonitrile features a strategically positioned nitrile group flanked by bromine and methyl substituents on a pyridine core, enabling direct functionalization in cross-coupling reactions. This electron-deficient heterocycle integrates readily into pharmaceutical intermediates and agrochemical scaffolds under standard conditions.

Application

2-Bromo-6-methylisonicotinonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its compatible bromo and nitrile functionalities. The methyl group provides steric and electronic modulation, while the nitrile facilitates downstream transformations such as hydrolysis or cyclization. Bench-stable and readily purified by recrystallization, it functions effectively in the synthesis of heterocyclic scaffolds and functionalized arenes relevant to 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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.0242
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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