5-Nitro-3-(trifluoromethyl)picolinonitrile

Name: 5-Nitro-3-(trifluoromethyl)picolinonitrile
Brand: ChemScene
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CAS No. 573762-57-9
Cat. No. CS-0435878
Molecule weight217.10
Purity≥96%
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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5-Nitro-3-(trifluoromethyl)picolinonitrile|CS-0435878

Structure of 573762-57-9

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General Information

CAS No. 573762-57-9
Cat. No. CS-0435878
Purity ≥96%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₂F₃N₃O₂
Molecular Weight 217.10
Synonym(s) 5-Nitro-3-trifluoroMethylpyridine-2-carbonitrile
SMILES N#CC1=NC=C([N+]([O-])=O)C=C1C(F)(F)F

Description

5-Nitro-3-(trifluoromethyl)picolinonitrile features a trifluoromethyl group and a nitro substituent positioned ortho to a nitrile-bearing pyridine ring, delivering strong electron-withdrawing character. This configuration enhances reactivity in cross-coupling processes and supports incorporation into advanced heterocyclic architectures for medicinal chemistry applications.

Application

5-Nitro-3-(trifluoromethyl)picolinonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to functionalized heterocyclic scaffolds. Its trifluoromethyl and nitrile groups provide strong electron-withdrawing character, facilitating nucleophilic substitution and transition-metal-catalyzed coupling reactions. The nitro group allows for selective reduction or further functionalization, while the molecule exhibits good bench stability and ease of purification—making it well-suited for multi-step synthetic sequences and process-scale applications.

Synthesis

Route1
- In-stock
  
  99368-67-9
- 557-21-1
- ~40%
- In-stock
  
  573762-57-9
References
- SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH Patent: WO2008/119015 A2, 2008 ; Location in patent: Page/Page column 47 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Computational Chemistry Data

TPSA 79.82
LogP 1.88028
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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5-Nitro-3-(trifluoromethyl)picolinonitrile

CAS No. 573762-57-9

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