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

Name: 4-Bromo-5-methylpyridin-2(1H)-one
Brand: ChemScene
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CAS No. 1227578-85-9
Cat. No. CS-0145692
Molecule weight188.02
Purity≥98%
MDL No.MFCD16610029

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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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4-Bromo-5-methylpyridin-2(1H)-one|CS-0145692

Structure of 1227578-85-9

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General Information

CAS No. 1227578-85-9
Cat. No. CS-0145692
Purity ≥98%
MDL No. MFCD16610029
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₆BrNO
Molecular Weight 188.02
Synonym(s) 4-Bromo-5-methyl-pyridin-2-ol
SMILES O=C1C=C(Br)C(C)=CN1

Description

4-Bromo-5-methylpyridin-2(1H)-one features a pyridinone core with bromo and methyl substituents at the 4- and 5-positions, respectively. This electron-deficient heterocycle enables direct functionalization in cross-coupling reactions. The compound exhibits bench-stable handling and compatibility with palladium-catalyzed transformations, facilitating rapid access to substituted pyridine scaffolds for medicinal chemistry applications.

Application

4-Bromo-5-methylpyridin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromine substituent. The pyridinone core provides hydrogen-bonding capability and enhanced solubility, while the methyl group offers mild steric influence. This compound exhibits good bench stability and facilitates efficient functionalization in standard synthetic workflows, making it suitable for constructing heterocyclic scaffolds relevant to pharmaceutical 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 32.86
LogP 1.44582
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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

CAS No. 1227578-85-9

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