2-Bromo-5-fluoropyridine-4-carbonitrile

Name: 2-Bromo-5-fluoropyridine-4-carbonitrile
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CAS No. 1256822-16-8
Cat. No. CS-0051994
Purity≥96%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
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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2-Bromo-5-fluoropyridine-4-carbonitrile|CS-0051994

Structure of 1256822-16-8

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General Information

CAS No. 1256822-16-8
Cat. No. CS-0051994
Purity ≥96%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrFN₂
Molecular Weight 201.00
Synonym(s) 2-bromo-5-fluoropyridine-4-carbonitrile
SMILES FC1=CN=C(Br)C=C1C#N

Description

2-Bromo-5-fluoroisonicotinonitrile features a strategically positioned bromine and fluorine substituent on the pyridine ring, enabling selective cross-coupling reactions. The nitrile group provides a handle for downstream functionalization, while the electron-deficient core enhances reactivity in palladium-catalyzed transformations under standard conditions.

Application

2-Bromo-5-fluoroisonicotinonitrile serves as a versatile building block in medicinal chemistry, enabling late-stage functionalization via palladium-catalyzed cross-coupling reactions. Its orthogonal reactivity profile—combining a nitrile group for downstream transformations and halogenation sites for selective derivatization—facilitates efficient access to substituted heterocycles and API scaffolds. The compound exhibits good bench stability and is compatible with standard synthetic workflows.

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-P362-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-5-fluoropyridine-4-carbonitrile

CAS No. 1256822-16-8

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