3-Chloro-5-fluoropicolinonitrile

Name: 3-Chloro-5-fluoropicolinonitrile
Brand: ChemScene
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CAS No. 950670-25-4
Cat. No. CS-0186809
Purity≥97%
MDL No.None

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3-Chloro-5-fluoropicolinonitrile|CS-0186809

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General Information

CAS No. 950670-25-4
Cat. No. CS-0186809
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂ClFN₂
Molecular Weight 156.54
Synonym(s) 3-Chloro-5-fluoropyridine-2-carbonitrile
SMILES C1=C(C=NC(=C1Cl)C#N)F

Description

3-Chloro-5-fluoropicolinonitrile features a trifunctional pyridine core with electron-withdrawing chlorine and fluorine substituents flanking a nitrile group, enabling precise tuning of electronic properties. This bench-stable heterocycle integrates readily into pharmaceutical intermediates and functional materials, offering enhanced reactivity in cross-coupling and nucleophilic substitution processes under standard conditions.

Application

3-Chloro-5-fluoropicolinonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated heterocycles and bioactive scaffolds. Its orthogonal reactivity—combining electron-deficient pyridine core with complementary chloro and fluoro substituents—facilitates diverse coupling reactions and nucleophilic substitutions under standard conditions. The nitrile group provides a handle for functionalization via hydrolysis or reduction, while the molecule exhibits good bench stability and ease of purification.

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-H319-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 36.68
LogP 1.74578
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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3-Chloro-5-fluoropicolinonitrile

CAS No. 950670-25-4

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