Description

5-Bromo-3-fluoropyridine-2-carboxylic acid (CAS No. 669066-91-5) is a high-purity halogenated pyridine derivative with the molecular formula C₆H₃BrFNO₂. This compound serves as a versatile building block in pharmaceutical and agrochemical synthesis, featuring both bromo and fluoro substituents for selective functionalization. Its crystalline form (typically white to off-white powder) ensures consistent reactivity in cross-coupling reactions, carboxylation transformations, and heterocyclic scaffold construction. With a molecular weight of 219.99 g/mol, it is supplied in rigorously tested batches (≥95% purity by HPLC) with detailed COA, NMR, and MSDS documentation. Ideal for medicinal chemistry, material science, and as a precursor for advanced ligands or catalysts.

Properties

• CAS Number: 669066-91-5
• Complexity: 167
• IUPAC Name: 5-bromo-3-fluoro-pyridine-2-carboxylic acid
• InChI: InChI=1S/C6H3BrFNO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)
• InChI Key: JXHUXOAJAYWMHK-UHFFFAOYSA-N
• Exact Mass: 218.93312
• Molecular Formula: C6H3BrFNO2
• Molecular Weight: 220.00
• SMILES: C1=C(C=NC(=C1F)C(=O)O)Br
• Topological: 50.2
• Monoisotopic Mass: 218.93312
• Synonyms: 669066-91-5, 5-Bromo-3-fluoropyridine-2-carboxylic acid, 5-Bromo-3-fluoropicolinic acid, DTXSID50610572, DTXCID40561327, 809-966-5, 5-bromo-3-fluoro-2-pyridinecarboxylic acid, MFCD07437865, 5-Bromo-3-fluoropicolinicacid, 2-Pyridinecarboxylic acid, 5-bromo-3-fluoro-, SCHEMBL1661495, JXHUXOAJAYWMHK-UHFFFAOYSA-N, BBL102554, SBB095869, STL556357, AKOS005258143, CS-W005596, PB15891, PS-6752, AC-27993, SY042020, 2-Pyridinecarboxylicacid,5-bromo-3-fluoro-, 5-Bromo-3-fluoropicolinic acid, AldrichCPR, DB-029091, EN300-119550, 5-Bromo-3-fluoropyridine-2-carboxylic acid, 95%, AU-004/43501977

Application

5-Bromo-3-fluoropyridine-2-carboxylic acid is extensively used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly for kinase inhibitors and antiviral agents. Its reactive bromo and carboxyl groups enable Suzuki-Miyaura and Buchwald-Hartwig couplings to construct complex heterocycles. Researchers also employ it in metal-organic framework (MOF) design due to its chelating properties. The fluorine substituent enhances metabolic stability in drug candidates, making it valuable for preclinical development.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (66.7%)
• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2A (66.7%)
• Acute Tox. 4 (33.3%)
• STOT SE 3 (66.7%)

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