6-Bromo-3-fluoropicolinonitrile

Name: 6-Bromo-3-fluoropicolinonitrile
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CAS No. 1256788-71-2
Cat. No. CS-0199295
Purity≥98%
MDL No.None

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6-Bromo-3-fluoropicolinonitrile|CS-0199295

Structure of 1256788-71-2

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General Information

CAS No. 1256788-71-2
Cat. No. CS-0199295
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) 6-Bromo-3-fluoro-2-pyridinecarbonitrile
SMILES N=1C(C#N)=C(F)C=CC1Br

Description

6-Bromo-3-fluoropicolinonitrile features a trifunctional pyridine core with bromine, fluorine, and nitrile groups positioned for orthogonal reactivity. This electron-deficient heterocycle enables selective cross-coupling and nucleophilic substitution under mild conditions, serving as a key building block in medicinal chemistry and materials synthesis.

Application

6-Bromo-3-fluoropicolinonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the 6-position via palladium-catalyzed cross-coupling reactions. The nitrile group provides a handle for downstream transformations, while the fluorine and bromine substituents offer orthogonal reactivity for sequential derivatization. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for modular synthesis of bioactive 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
Precautionary Statements : P261-P280-P304+P340

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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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6-Bromo-3-fluoropicolinonitrile

CAS No. 1256788-71-2

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