5-Bromo-2-(trifluoromethyl)isonicotinic acid

Name: 5-Bromo-2-(trifluoromethyl)isonicotinic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 749875-16-9
Cat. No. CS-W016698
Molecule weight270.01
Purity≥95%
MDL No.MFCD10687236

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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-Bromo-2-(trifluoromethyl)isonicotinic acid|CS-W016698

Structure of 749875-16-9

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General Information

CAS No. 749875-16-9
Cat. No. CS-W016698
Purity ≥95%
MDL No. MFCD10687236
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrF₃NO₂
Molecular Weight 270.01
Synonym(s) 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid
SMILES OC(=O)C1=CC(=NC=C1Br)C(F)(F)F

Description

5-Bromo-2-(trifluoromethyl)isonicotinic acid features a trifluoromethyl group at the 2-position and a bromine substituent at the 5-position of the pyridine ring, creating a highly electron-deficient heteroaromatic scaffold. This combination enhances its utility in cross-coupling reactions and as a building block for bioactive molecules. The compound exhibits excellent stability under standard handling conditions and integrates readily into pharmaceutical intermediates.

Application

5-Bromo-2-(trifluoromethyl)isonicotinic acid serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C5 position via cross-coupling reactions. The electron-withdrawing trifluoromethyl group enhances electrophilicity at C4, facilitating nucleophilic substitution and transition-metal-catalyzed transformations. Its bench-stable crystalline form simplifies handling and purification, making it ideal for constructing heterocyclic scaffolds and API intermediates in drug discovery workflows.

Synthesis

Route1
- 124-38-9
- In-stock
  
  436799-32-5
- ~77%
- In-stock
  
  749875-16-9
References
- NEUROCRINE BIOSCIENCES, INC. Patent: WO2008/124610 A1, 2008 ; Location in patent: Page/Page column 43; 44 ; WO 2008/124610 A1

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 50.19
LogP 2.5611
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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5-Bromo-2-(trifluoromethyl)isonicotinic acid

CAS No. 749875-16-9

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