Cas no 13959-02-9 (3-bromopyridine-4-carboxylic acid)
3-bromopyridine-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-Bromoisonicotinic acid
- 3-Bromopyridine-4-carboxylic acid
- Vitamin E
- 4-Pyridinecarboxylic acid, 3-bromo-
- 3-Bromo-4-pyridinecarboxylic acid
- C6H4BrNO2
- 3-Bromo-isonicotinic acid
- 5-bromoisonicotinic acid
- PubChem13576
- 3-bromo isonicotinic acid
- KSC174I2L
- AVXWWBFBRTXBRM-UHFFFAOYSA-N
- WT548
- HMS1655D02
- 4-Pyridinecarboxylicacid, 3-bromo-
- 3-Bromo-4-pyridine carboxylic acid
- STK689801
- SBB014291
- 3-Bromoisonicotinicacid
- 3-Bromo Iso Nicotinic Acid
- SBB01
- 13959-02-9
- SY007802
- NA-0700
- A23968
- bis(3,5,5-trimethylhexanoyl)peroxide
- SB10509
- 3-Bromopyridine-4-carboxylic acid, 97%
- CS-W002194
- EN300-83251
- 3-Bromo-4-pyridinecarboxylic acid,(S)
- SCHEMBL480991
- AC-907/30003054
- PB10062
- W-205537
- F1957-0038
- AM20050809
- AKOS005073787
- DTXSID60355886
- Isonicotinic acid, 3-bromo- (7CI,8CI); 3-Bromo-4-pyridinecarboxylic acid; 3-Bromoisonicotinic acid
- MFCD00040944
- FT-0615169
- Z1238800040
- AC-9448
- DB-023735
- 3-bromopyridine-4-carboxylic acid
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- MDL: MFCD00040944
- Inchi: 1S/C6H4BrNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
- InChI Key: AVXWWBFBRTXBRM-UHFFFAOYSA-N
- SMILES: BrC1C=NC=CC=1C(=O)O
Computed Properties
- Exact Mass: 200.94300
- Monoisotopic Mass: 200.94254g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 140
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.1
- Topological Polar Surface Area: 50.2
Experimental Properties
- Density: 1.813
- Melting Point: 234-238?°C
- Boiling Point: 403.1°C at 760 mmHg
- Flash Point: Degrees Fahrenheit:455°F
Degrees Celsius:235°C - Refractive Index: 1.616
- PSA: 50.19000
- LogP: 1.54230
3-bromopyridine-4-carboxylic acid Security Information
-
Symbol:
- Signal Word:Warning
- Hazard Statement: H302,H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22-36/37/38
- Safety Instruction: S26-S36/37/39
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:Store at room temperature
- Risk Phrases:R36/37/38
3-bromopyridine-4-carboxylic acid Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-bromopyridine-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-GO682-5g |
3-bromopyridine-4-carboxylic acid |
13959-02-9 | 97% | 5g |
149.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-GO682-25g |
3-bromopyridine-4-carboxylic acid |
13959-02-9 | 97% | 25g |
434.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-GO682-1g |
3-bromopyridine-4-carboxylic acid |
13959-02-9 | 97% | 1g |
50.0CNY | 2021-08-04 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 714658-1G |
3-bromopyridine-4-carboxylic acid |
13959-02-9 | 1g |
¥765.95 | 2023-11-27 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B804092-100g |
3-Bromopyridine-4-carboxylic acid |
13959-02-9 | 98% | 100g |
894.00 | 2021-05-17 | |
| Matrix Scientific | 016033-5g |
3-Bromoisonicotinic acid, 97% |
13959-02-9 | 97% | 5g |
$11.00 | 2023-09-09 | |
| Matrix Scientific | 016033-25g |
3-Bromoisonicotinic acid, 97% |
13959-02-9 | 97% | 25g |
$47.00 | 2023-09-09 | |
| Matrix Scientific | 016033-100g |
3-Bromoisonicotinic acid, 97% |
13959-02-9 | 97% | 100g |
$139.00 | 2023-09-09 | |
| TRC | B677818-10mg |
3-Bromoisonicotinic Acid |
13959-02-9 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B677818-50mg |
3-Bromoisonicotinic Acid |
13959-02-9 | 50mg |
$ 65.00 | 2022-06-06 |
3-bromopyridine-4-carboxylic acid Suppliers
3-bromopyridine-4-carboxylic acid Related Literature
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1. Condensation of β-dicarbonyl compounds with halogenopyridinecarboxylic acids. A convenient synthesis of some naphthyridine derivativesD. E. Ames,W. D. Dodds J. Chem. Soc. Perkin Trans. 1 1972 705
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Viktor P. Litvinov,S V. Roman,Vladimir D. Dyachenko Russ. Chem. Rev. 2000 69 201
Additional information on 3-bromopyridine-4-carboxylic acid
Recent Advances in the Application of 3-Bromopyridine-4-carboxylic Acid (CAS: 13959-02-9) in Chemical Biology and Pharmaceutical Research
3-Bromopyridine-4-carboxylic acid (CAS: 13959-02-9) is a versatile chemical building block that has garnered significant attention in recent years due to its potential applications in drug discovery and chemical biology. This heterocyclic compound, characterized by a pyridine ring substituted with a bromine atom and a carboxylic acid group, serves as a critical intermediate in the synthesis of various pharmacologically active molecules. Recent studies have explored its utility in the development of kinase inhibitors, antimicrobial agents, and other therapeutic compounds, highlighting its importance in modern medicinal chemistry.
One of the most notable advancements involves the use of 3-bromopyridine-4-carboxylic acid as a precursor in the synthesis of novel kinase inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy in the construction of selective JAK2 inhibitors, which are promising candidates for the treatment of myeloproliferative disorders. The bromine atom at the 3-position allows for further functionalization via cross-coupling reactions, enabling the introduction of diverse pharmacophores to optimize biological activity and selectivity.
In addition to its role in kinase inhibitor development, 3-bromopyridine-4-carboxylic acid has been employed in the design of antimicrobial agents. Researchers have recently reported its incorporation into hybrid molecules targeting bacterial efflux pumps, a mechanism associated with multidrug resistance. These hybrids exhibit potent activity against resistant strains of Staphylococcus aureus and Escherichia coli, as evidenced by in vitro and in vivo studies. The carboxylic acid moiety facilitates the formation of salt bridges with key residues in the target proteins, enhancing binding affinity.
Beyond therapeutic applications, 3-bromopyridine-4-carboxylic acid has found use in chemical biology as a tool for protein labeling and modification. A 2024 study in ACS Chemical Biology detailed its application in the site-specific modification of lysine residues via nucleophilic aromatic substitution (SNAr). This approach enables the introduction of bioorthogonal handles for subsequent conjugation with fluorescent probes or affinity tags, providing a powerful strategy for studying protein-protein interactions and cellular localization.
Despite these promising developments, challenges remain in the scalable synthesis and derivatization of 3-bromopyridine-4-carboxylic acid. Recent efforts have focused on optimizing catalytic systems for its production, with particular emphasis on minimizing byproducts and improving yields. Advances in flow chemistry and photoredox catalysis have shown potential in addressing these issues, paving the way for broader adoption of this compound in industrial and academic settings.
In conclusion, 3-bromopyridine-4-carboxylic acid (CAS: 13959-02-9) continues to emerge as a valuable scaffold in pharmaceutical research and chemical biology. Its unique structural features enable diverse applications, from drug discovery to protein engineering. Future research is expected to further explore its potential, particularly in the context of targeted therapies and precision medicine. As synthetic methodologies evolve, this compound is poised to play an increasingly prominent role in addressing unmet medical needs.
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