5-Bromo-4-fluoropyridin-2(1H)-one

Name: 5-Bromo-4-fluoropyridin-2(1H)-one
Brand: ChemScene
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CAS No. 1805590-93-5
Cat. No. CS-0144812
Molecule weight191.99
Purity≥96%
MDL No.MFCD28739491

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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5-Bromo-4-fluoropyridin-2(1H)-one|CS-0144812

Structure of 1805590-93-5

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General Information

CAS No. 1805590-93-5
Cat. No. CS-0144812
Purity ≥96%
MDL No. MFCD28739491
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₃BrFNO
Molecular Weight 191.99
Synonym(s) 5-Bromo-4-fluoro-2-pyridinol
SMILES O=C1C=C(F)C(Br)=CN1

Description

5-Bromo-4-fluoropyridin-2(1H)-one features a uniquely reactive pyridinone core bearing bromo and fluoro substituents at the 5- and 4-positions, respectively. This combination enables selective cross-coupling transformations while maintaining stability under standard reaction conditions. The molecule's electron-deficient heterocyclic framework facilitates efficient functionalization in medicinal chemistry and materials synthesis workflows.

Application

5-Bromo-4-fluoropyridin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C5 position via cross-coupling reactions. The fluorine substituent enhances metabolic stability and modulates electronic properties, while the pyridinone core provides hydrogen-bonding capacity and facilitates metal coordination. Its bench-stable nature and compatibility with palladium-catalyzed transformations make it ideal for constructing complex heterocyclic scaffolds in API development.

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 32.86
LogP 1.2765
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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5-Bromo-4-fluoropyridin-2(1H)-one

CAS No. 1805590-93-5

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