3-Bromo-5-fluoroisonicotinonitrile

Name: 3-Bromo-5-fluoroisonicotinonitrile
Brand: ChemScene
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CAS No. 1353636-66-4
Cat. No. CS-0042829
Purity≥98%
MDL No.None

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Type	HazMat Fee
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FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-Bromo-5-fluoroisonicotinonitrile|CS-0042829

Structure of 1353636-66-4

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Description

3-Bromo-5-fluoroisonicotinonitrile features a strategically positioned bromine and fluorine substituent on an isonicotinonitrile scaffold, enabling selective cross-coupling reactions. The electron-deficient pyridine ring enhances reactivity in palladium-catalyzed transformations, while the nitrile group provides a handle for downstream functionalization. This bench-stable intermediate supports efficient synthesis of bioactive heterocycles and advanced pharmaceutical building blocks.

Application

3-Bromo-5-fluoroisonicotinonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogenation pattern. The nitrile group provides a handle for downstream functionalization, while the fluoro and bromo substituents offer complementary reactivity for sequential derivatization. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for constructing heterocyclic scaffolds and API intermediates.

General Information

CAS No. 1353636-66-4
Cat. No. CS-0042829
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) 3-bromo-5-fluoropyridine-4-carbonitrile
SMILES N#CC1=C(F)C=NC=C1Br

Computational Chemistry Data

TPSA 36.68
LogP 1.85488
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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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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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3-Bromo-5-fluoroisonicotinonitrile

CAS No. 1353636-66-4

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