2-(Pyridin-4-yl)-1H-benzo[d]imidazole-6-carboxylic acid

Name: 2-(Pyridin-4-yl)-1H-benzo[d]imidazole-6-carboxylic acid
Brand: ChemScene
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CAS No. 316833-32-6
Cat. No. CS-W021457
Purity≥95%
MDL No.MFCD06245477

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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+
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2-(Pyridin-4-yl)-1H-benzo[d]imidazole-6-carboxylic acid|CS-W021457

Structure of 316833-32-6

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General Information

CAS No. 316833-32-6
Cat. No. CS-W021457
Purity ≥95%
MDL No. MFCD06245477
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₉N₃O₂
Molecular Weight 239.23
Synonym(s) None
SMILES O=C(O)C=1C=CC=2N=C(NC2C1)C=3C=CN=CC3

Description

This pyridyl-benzimidazole carboxylic acid features a fused heterocyclic core with complementary electron-deficient and donor-rich regions, enabling robust integration into bioactive scaffolds. The para-pyridyl group enhances solubility and facilitates metal coordination, while the carboxylic acid moiety supports conjugation and derivatization under standard conditions.

Application

2-(Pyridin-4-yl)-1H-benzo[d]imidazole-6-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its fused benzimidazole core with pyridyl and carboxylic acid functionalities enables robust coupling reactions, exhibits favorable solubility for solution-phase synthesis, and supports orthogonal functionalization in multi-step sequences. The compound demonstrates bench stability and facilitates efficient purification, making it well-suited for high-throughput screening campaigns and API intermediate development.

Synthesis

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  316833-32-6
References
- Wubulikasimu, Reyila; Yang, Yanbing; Xue, Fei; Luo, Xianjin; Shao, Dongping; Li, Yuhuan; Gao, Rongmei; Ye, Weidong Bulletin of the Korean Chemical Society, 2013 , vol. 34, # 8 p. 2297 - 2304

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 78.87
LogP 2.3231
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Material Science Polymer/Macromolecule Reagents Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

Material Science Organic-Inorganic Hybrid Materials Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

Key Words

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2-(Pyridin-4-yl)-1H-benzo[d]imidazole-6-carboxylic acid

CAS No. 316833-32-6

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