5-Bromonicotinic acid

Modify Date: 2025-08-20 21:33:40

5-Bromonicotinic acid Structure
5-Bromonicotinic acid structure
Common Name 5-Bromonicotinic acid
CAS Number 20826-04-4 Molecular Weight 202.01
Density 1.8±0.1 g/cm3 Boiling Point 328.5±27.0 °C at 760 mmHg
Molecular Formula C6H4BrNO2 Melting Point 178-180 °C(lit.)
MSDS USA Flash Point 152.5±23.7 °C
Symbol GHS07
GHS07
Signal Word Warning

 Use of 5-Bromonicotinic acid


5-Bromonicotinic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

 Names

Name 5-bromopyridine-3-carboxylic acid
Synonym More Synonyms

 5-Bromonicotinic acid Biological Activity

Description 5-Bromonicotinic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog

 Chemical & Physical Properties

Density 1.8±0.1 g/cm3
Boiling Point 328.5±27.0 °C at 760 mmHg
Melting Point 178-180 °C(lit.)
Molecular Formula C6H4BrNO2
Molecular Weight 202.01
Flash Point 152.5±23.7 °C
Exact Mass 200.942535
PSA 50.19000
LogP 1.22
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.617
InChIKey FQIUCPGDKPXSLL-UHFFFAOYSA-N
SMILES O=C(O)c1cncc(Br)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT0868000
CHEMICAL NAME :
Nicotinic acid, 5-bromo-
CAS REGISTRY NUMBER :
20826-04-4
BEILSTEIN REFERENCE NO. :
0115854
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H4-Br-N-O2
MOLECULAR WEIGHT :
202.02
WISWESSER LINE NOTATION :
T6NJ CE EVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
462 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
JOPHDQ Journal of Pharmacobio-Dynamics. (Japan Pub. Trading Co. (USA), 1255 Howard St., San Francisco, CA 94103) V.1- 1978- Volume(issue)/page/year: 10,35,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 20,29,1986

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant
Risk Phrases R36/37/38
Safety Phrases S26-S36-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS QT0868000
HS Code 2933399090

 Synthetic Route

~96%

5-Bromonicotinic acid Structure

5-Bromonicotini...

CAS#:20826-04-4

Literature: WO2004/35545 A2, ; Page 45-46 ;

~11%

5-Bromonicotinic acid Structure

5-Bromonicotini...

CAS#:20826-04-4

Literature: Journal of Pharmaceutical Sciences, , vol. 84, # 9 p. 1120 - 1125

~89%

5-Bromonicotinic acid Structure

5-Bromonicotini...

CAS#:20826-04-4

Literature: Tetrahedron: Asymmetry, , vol. 3, # 7 p. 871 - 901

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5-Bromonicotinic acid Structure

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CAS#:20826-04-4

Literature: Journal of the American Chemical Society, , vol. 72, p. 393

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5-Bromonicotinic acid Structure

5-Bromonicotini...

CAS#:20826-04-4

Literature: Journal of the American Chemical Society, , vol. 70, p. 2381,2383

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5-Bromonicotinic acid Structure

5-Bromonicotini...

CAS#:20826-04-4

Literature: Journal of Organic Chemistry, , vol. 16, p. 1485,1491

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5-Bromonicotinic acid Structure

5-Bromonicotini...

CAS#:20826-04-4

Literature: Synthesis, , # 4 p. 551 - 554

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5-Bromonicotinic acid Structure

5-Bromonicotini...

CAS#:20826-04-4

Literature: Yakugaku Zasshi, , vol. 51, p. 542,571; dtsch. Ref. S. 73, 76 Chem.Abstr., , p. 5427 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 138, p. 244,257

 Preparation


 Customs

HS Code 2933399090
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%

 Articles4

More Articles
Agonist lead identification for the high affinity niacin receptor GPR109a.

Bioorg. Med. Chem. Lett. 17 , 4914-9, (2007)

A strategy for lead identification of new agonists of GPR109a, starting from known compounds shown to activate the receptor, is described. Early compound triage led to the formulation of a binding hyp...

Iodopyridine-for-iodobenzene substitution for use with low molecular weight radiopharmaceuticals: application to m-iodobenzylguanidine.

Bioconjug. Chem. 9(6) , 758-64, (1998)

Substituting a pyridine ring for a benzene ring in the acylation agent N-succinimidyl 3-iodobenzoate has resulted in a useful approach for the radiohalogenation of monoclonal antibodies, peptides, and...

Drug-protein conjugates: haptenation of 1-methyl-10 alpha-methoxydihydrolysergol and 5-bromonicotinic acid to albumin for the production of epitope-specific monoclonal antibodies against nicergoline.

J. Pharm. Sci. 84(9) , 1120-5, (1995)

Two types of monoclonal antibodies were used for the determination of nicergoline in biological matrices. The antibodies were prepared with the hydrolysis products 5-bromonicotinic acid and 1-methyl-1...

 5-Bromonicotinic acidBioassay

View more

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4296186
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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 Synonyms

Nicotinic acid,5-bromo
5-Bromonicotinic acid
5-Bromo-3-pyridinecarboxylic Acid
5-Bromopyridine-3-carboxylic acid,5-Bromonicotinic acid
3-Pyridinecarboxylic acid,5-bromo
3-bromo-5-pyridine-carboxylic acid
5-bromonictotinic acid
3-Bromo pyridine-5-carboxylic acid
5-bromonicotininc acid
5-Bromopyridine-3-carboxylic acid
EINECS 244-065-5
MFCD00009783
5-Bromo Nicotinic Acid
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