2-Bromo-6-fluoronicotinonitrile

Name: 2-Bromo-6-fluoronicotinonitrile
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CAS No. 1806849-41-1
Cat. No. CS-0197823
Purity≥98%
MDL No.None

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2-Bromo-6-fluoronicotinonitrile|CS-0197823

Structure of 1806849-41-1

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General Information

CAS No. 1806849-41-1
Cat. No. CS-0197823
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrFN₂
Molecular Weight 201.00
Synonym(s) None
SMILES N#CC1=CC=C(F)N=C1Br

Description

2-Bromo-6-fluoronicotinonitrile features a strategically positioned nitrile group and halogen 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-fluoronicotinonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal reactivity profile. The nitrile group provides a handle for downstream transformations, while the bromo and fluoro substituents offer complementary sites for selective functionalization. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of fluorinated heterocycles and API intermediates.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P405-P501

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Computational Chemistry Data

TPSA 36.68
LogP 1.85488
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2-Bromo-6-fluoronicotinonitrile

CAS No. 1806849-41-1

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