4-Amino-6-chloro-5-fluoronicotinonitrile

Name: 4-Amino-6-chloro-5-fluoronicotinonitrile
Brand: ChemScene
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CAS No. 2454397-76-1
Cat. No. CS-0371905
Molecule weightNone
Purity≥97%
MDL No.MFCD32879467

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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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4-Amino-6-chloro-5-fluoronicotinonitrile|CS-0371905

Structure of 2454397-76-1

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General Information

CAS No. 2454397-76-1
Cat. No. CS-0371905
Purity ≥97%
MDL No. MFCD32879467
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃ClFN₃
Molecular Weight None
Synonym(s) None
SMILES N#CC1=C(N)C(F)=C(Cl)N=C1

Description

4-Amino-6-chloro-5-fluoronicotinonitrile features a trifunctional heteroaryl core with electron-withdrawing nitrile and halogen groups flanking a primary amine, enabling direct integration into pharmaceutical scaffolds. The para-positioned amino group enhances solubility and reactivity in cross-coupling and cyclization reactions under standard conditions.

Application

4-Amino-6-chloro-5-fluoronicotinonitrile serves as a key building block in the synthesis of bioactive heterocycles, particularly in the development of kinase inhibitors and antiviral agents. The molecule's trifunctional substitution—amino, chloro, and cyano groups—enables sequential functionalization via nucleophilic aromatic substitution, palladium-catalyzed coupling, and cyclization reactions. Its bench-stable nature and compatibility with standard purification methods make it well-suited for iterative medicinal chemistry campaigns and process-scale applications.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 62.7
LogP 1.32798
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

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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4-Amino-6-chloro-5-fluoronicotinonitrile

CAS No. 2454397-76-1

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