3-Nitro-5-(trifluoromethyl)pyridin-2(1H)-one

Name: 3-Nitro-5-(trifluoromethyl)pyridin-2(1H)-one
Brand: ChemScene
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CAS No. 33252-64-1
Cat. No. CS-0157385
Purity≥98%
MDL No.MFCD00153193

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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-Nitro-5-(trifluoromethyl)pyridin-2(1H)-one|CS-0157385

Structure of 33252-64-1

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Description

3-Nitro-5-(trifluoromethyl)pyridin-2(1H)-one features a strategically positioned nitro group and trifluoromethyl substituent on a pyridinone scaffold, delivering enhanced electron deficiency and metabolic stability. This combination enables efficient coupling in late-stage functionalization and transition metal-catalyzed transformations. The compound exhibits robust bench stability and solubility in common organic solvents, facilitating its use in synthetic medicinal chemistry and materials development workflows.

Application

3-Nitro-5-(trifluoromethyl)pyridin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C3 position via nucleophilic substitution or metal-catalyzed coupling. The electron-deficient pyridinone core exhibits enhanced reactivity toward amines and thiols, while the trifluoromethyl group imparts metabolic stability and modulates lipophilicity. Bench-stable and readily purified by recrystallization, it functions efficiently in late-stage diversification of heterocyclic scaffolds.

General Information

CAS No. 33252-64-1
Cat. No. CS-0157385
Purity ≥98%
MDL No. MFCD00153193
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃F₃N₂O₃
Molecular Weight 208.09
Synonym(s) 2-Hydroxy-3-nitro-5-(trifluoromethyl)pyridine
SMILES C1=C(C=NC(=C1[N+](=O)[O-])O)C(F)(F)F

Computational Chemistry Data

TPSA 76.26
LogP 1.7142
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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3-Nitro-5-(trifluoromethyl)pyridin-2(1H)-one

CAS No. 33252-64-1

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