20826-04-4
20826-04-4
Chemical Structure
5-Bromonicotinic acid
- CAS No.: 20826-04-4
- Formula:C6H4BrNO2
- Molecular Weight:202.01
IUPAC Name: 5-bromonicotinic acid
InChIKey: FQIUCPGDKPXSLL-UHFFFAOYSA-N
SMILES: O=C(C1=CC(Br)=CN=C1)O
Biological Activity: 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].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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5-Bromonicotinic acid | 99.83% | 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). | ||||||||||||||||||||
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5-Bromonicotinic acid (Standard) | ≥98% | 5-Bromonicotinic acid (Standard) is the analytical standard of 5-Bromonicotinic acid. This product is intended for research and analytical applications. 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). | ||||||||||||||||||||
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References
- [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.
