5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

Name: 5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 920979-05-1
Cat. No. CS-0156753
Purity≥98%
MDL No.MFCD13196665

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Excepted Quantity	$0.00
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5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid|CS-0156753

Structure of 920979-05-1

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General Information

CAS No. 920979-05-1
Cat. No. CS-0156753
Purity ≥98%
MDL No. MFCD13196665
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅F₃N₂O₂
Molecular Weight 230.14
Synonym(s) None
SMILES C1=CC(=NC2=C1NC(=C2)C(=O)O)C(F)(F)F

Description

5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid features a fused heterocyclic core with a strongly electron-deficient trifluoromethyl group and a carboxylic acid handle, enabling direct incorporation into bioactive scaffolds. This moiety combines enhanced metabolic stability with favorable polarity for drug discovery applications.

Application

5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and process development. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid functionality enables direct coupling reactions or derivatization. The scaffold exhibits good bench stability and compatibility with standard synthetic transformations, facilitating efficient access to diverse analogs in drug discovery campaigns.

Synthesis

Route1
- In-stock
  
  920979-04-0
- 127-17-3
- ~%
- In-stock
  
  920979-05-1
References
- SANOFI-AVENTIS Patent: US2008/125459 A1, 2008 ; Location in patent: Page/Page column 16 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 65.98
LogP 2.2799
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

CAS No. 920979-05-1

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