3-Chloro-5-iodopyridin-2(1H)-one

Name: 3-Chloro-5-iodopyridin-2(1H)-one
Brand: ChemScene
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CAS No. 97966-02-4
Cat. No. CS-0132107
Purity≥96%
MDL No.MFCD11227187

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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-Chloro-5-iodopyridin-2(1H)-one|CS-0132107

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General Information

CAS No. 97966-02-4
Cat. No. CS-0132107
Purity ≥96%
MDL No. MFCD11227187
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₃ClINO
Molecular Weight 255.44
Synonym(s) 3-Chloro-5-iodo-pyridin-2-ol
SMILES O=C1C(Cl)=CC(I)=CN1

Description

3-Chloro-5-iodopyridin-2(1H)-one features a pyridinone core functionalized with chlorine and iodine at the 3- and 5-positions, respectively. This electron-deficient heterocycle enables direct cross-coupling reactions under palladium catalysis, serving as a key building block in medicinal chemistry and agrochemical synthesis. The molecule exhibits enhanced stability and solubility in polar aprotic solvents, facilitating efficient reaction setup and purification.

Application

3-Chloro-5-iodopyridin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal reactivity at the iodine and chlorine sites. The pyridinone scaffold provides hydrogen-bonding capacity and metabolic stability, while the molecule exhibits excellent bench stability and facilitates straightforward purification. Its dual halogenation pattern supports sequential functionalization strategies in API development.

Safety Information

Download SDS

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-P280-P302+P352

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Computational Chemistry Data

TPSA 32.86
LogP 1.6329
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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3-Chloro-5-iodopyridin-2(1H)-one

CAS No. 97966-02-4

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