5-Bromonicotinic acid

5-Bromonicotinic acid can be used as a pharmaceutical intermediate to synthesize 5-aryloyl nicotinic acid compounds. 5-Bromonicotinic acid has the characteristics of good drug similarity, high oral bioavailability, and low toxicity through molecular docking prediction. 5-Bromonicotinic acid has good binding ability with hepatitis virus proteins (binding energy: -4.7 to -5.3 kcal/mol) [1][2].

Product Specifications

CAS Number

[20826-04-4]

UNSPSC

12352200

Hazard Statement

H302, H315, H319, H335

Target

Drug Intermediate

Type

Biochemical Assay Reagents

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/5-bromonicotinic-acid.html

Purity

99.83

Solubility

10 mM in DMSO

Smiles

O=C(C1=CC(Br)=CN=C1)O

Molecular Formula

C6H4BrNO2

Molecular Weight

202.01

Precautions

H302, H315, H319, H335

References & Citations

[1]Wang A, et al. Investigation of the reaction of 5-bromonicotinic acid with certain arylacetonitriles and LDA in THF[J]. Heterocycles, 1997, 45 (10) : 1929-1935. |[2]R S, et al. Structural, electronic, intermolecular interaction, reactivity, vibrational spectroscopy, charge transfer, Hirshfeld surface analysis, pharmacological and hydropathy plot on 5-Bromo nicotinic acid - Antiviral study (Hepatitis A, B, and C) . Heliyon. 2023 Sep 7;9 (9) :e19965.