2-Chloro-5-(trifluoromethyl)nicotinic acid

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

CAS No. 505084-59-3
Cat. No. CS-W008174
Purity≥97%
MDL No.MFCD08741353

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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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2-Chloro-5-(trifluoromethyl)nicotinic acid|CS-W008174

Structure of 505084-59-3

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Description

This trifluoromethyl-substituted nicotinic acid features a chlorine atom at the 2-position, delivering enhanced electron-withdrawing character and improved metabolic stability. The para-trifluoromethyl group increases lipophilicity and facilitates incorporation into bioactive scaffolds. Ideal for medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds.

Application

2-Chloro-5-(trifluoromethyl)nicotinic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the chloro substituent facilitates palladium-catalyzed cross-coupling reactions. The carboxylic acid functionality supports direct amidation or esterification, offering straightforward derivatization for scaffold diversification. Bench-stable and readily purified by recrystallization, it functions reliably in standard synthetic workflows.

General Information

CAS No. 505084-59-3
Cat. No. CS-W008174
Purity ≥97%
MDL No. MFCD08741353
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃ClF₃NO₂
Molecular Weight 225.55
Synonym(s) 3-Pyridinecarboxylicacid, 2-chloro-5-(trifluoromethyl)-
SMILES ClC1=NC=C(C=C1C(=O)O)C(F)(F)F

Computational Chemistry Data

TPSA 50.19
LogP 2.452
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-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 Chloride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2-Chloro-5-(trifluoromethyl)nicotinic acid

CAS No. 505084-59-3

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