4-Chloro-2-(trifluoromethyl)nicotinic acid

Name: 4-Chloro-2-(trifluoromethyl)nicotinic acid
Brand: ChemScene
Availability: InStock
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CAS No. 1018678-39-1
Cat. No. CS-0030196
Purity≥97%
MDL No.MFCD22546902

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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-Chloro-2-(trifluoromethyl)nicotinic acid|CS-0030196

Structure of 1018678-39-1

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General Information

CAS No. 1018678-39-1
Cat. No. CS-0030196
Purity ≥97%
MDL No. MFCD22546902
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃ClF₃NO₂
Molecular Weight 225.55
Synonym(s) 4-Chloro-2-trifluoromethylnicotinic acid
SMILES O=C(C1=C(Cl)C=CN=C1C(F)(F)F)O

Description

4-Chloro-2-(trifluoromethyl)nicotinic acid features a trifluoromethyl group at the 2-position and a chlorine substituent at the 4-position of the pyridine ring, imparting strong electron-withdrawing character. This configuration enhances reactivity in coupling processes and improves metabolic stability, making it valuable for synthesizing bioactive heterocycles in medicinal chemistry and agrochemical development.

Application

4-Chloro-2-(trifluoromethyl)nicotinic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its electron-deficient pyridine core facilitates nucleophilic substitution and palladium-catalyzed coupling reactions, while the trifluoromethyl group enhances metabolic stability and lipophilicity. The molecule exhibits excellent bench stability and is compatible with standard purification methods, making it well-suited for scalable synthesis and process development.

Synthesis

Route1
- In-stock
  
  131747-43-8
- ~96%
- In-stock
  
  1018678-39-1
References
- Didiuk, Mary T.; Griffith, David A.; Benbow, John W.; Liu, Kevin K.C.; Walker, Daniel P.; Christopher Bi; Morris, Joel; Guzman-Perez, Angel; Gao, Hua; Bechle, Bruce M.; Kelley, Ryan M.; Yang, Xiaojing; Dirico, Kenneth; Ahmed, Syed; Hungerford, William; DiBrinno, Joseph; Zawistoski, Michael P.; Bagley, Scott W.; Li, Jianke; Zeng, Yuan; Santucci, Stephanie; Oliver, Robert; Corbett, Matthew; Olson, Thanh; Chen, Chiliu; Li, Mei; Paralkar, Vishwas M.; Riccardi, Keith A.; Healy, David R.; Kalgutkar, Amit S.; Maurer, Tristan S.; Nguyen, Hang T.; Frederick, Kosea S. Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 16 p. 4555 - 4559

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-H320-H335
Precautionary Statements : P264-P270-P330

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Computational Chemistry Data

TPSA 50.19
LogP 2.452
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

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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4-Chloro-2-(trifluoromethyl)nicotinic acid

CAS No. 1018678-39-1

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