3-Bromo-5-fluoropicolinonitrile

Name: 3-Bromo-5-fluoropicolinonitrile
Brand: ChemScene
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CAS No. 950670-18-5
Cat. No. CS-W018837
Purity≥96%
MDL No.MFCD16988825

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-Bromo-5-fluoropicolinonitrile|CS-W018837

Structure of 950670-18-5

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Description

3-Bromo-5-fluoropicolinonitrile features a trifunctional pyridine core bearing bromo, fluoro, and nitrile groups in a regioselective arrangement. This electron-deficient heterocycle enables direct coupling reactions in cross-coupling and cyclization workflows. The nitrile moiety enhances reactivity in nucleophilic substitutions, while the halogen atoms facilitate palladium-catalyzed transformations. Bench-stable under standard conditions, it serves as a key building block for bioactive molecules and advanced materials.

Application

3-Bromo-5-fluoropicolinonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its compatible bromo and cyano groups. The fluorine substituent enhances metabolic stability and modulates electronic properties, while the pyridine core facilitates incorporation into bioactive heterocycles. Bench-stable and amenable to purification, it functions effectively in standard synthetic workflows for API development.

General Information

CAS No. 950670-18-5
Cat. No. CS-W018837
Purity ≥96%
MDL No. MFCD16988825
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrFN₂
Molecular Weight 201.00
Synonym(s) 3-Bromo-5-fluoropyridine-2-carbonitrile
SMILES N#CC1=NC=C(F)C=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-fluoropicolinonitrile

CAS No. 950670-18-5

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