3-Bromo-4-chloropyridin-2(1h)-one

Name: 3-Bromo-4-chloropyridin-2(1h)-one
Brand: ChemScene
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CAS No. 1804897-66-2
Cat. No. CS-0197667
Purity≥97%
MDL No.None

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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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3-Bromo-4-chloropyridin-2(1h)-one|CS-0197667

Structure of 1804897-66-2

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General Information

CAS No. 1804897-66-2
Cat. No. CS-0197667
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₃BrClNO
Molecular Weight 208.44
Synonym(s) None
SMILES O=C1NC=CC(Cl)=C1Br

Description

3-Bromo-4-chloropyridin-2(1H)-one features a fused heterocyclic core with complementary halogen handles, enabling direct functionalization in cross-coupling and nucleophilic substitution reactions. The electron-deficient pyridinone scaffold enhances reactivity toward amines and thiols, while maintaining bench-stable handling under standard conditions.

Application

3-Bromo-4-chloropyridin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromo group facilitates Suzuki, Stille, and Negishi couplings, while the chloro substituent offers enhanced stability and selective functionalization. Its pyridinone core provides hydrogen-bonding capacity and structural rigidity, making it suitable for constructing bioactive heterocycles and API intermediates with predictable solubility and handling characteristics.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 32.86
LogP 1.7908
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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3-Bromo-4-chloropyridin-2(1h)-one

CAS No. 1804897-66-2

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