Description

2-Fluoronicotinic acid (CAS No. 393-55-5) is a high-purity fluorinated pyridine derivative with the molecular formula C₆H₄FNO₂ and IUPAC name 2-fluoropyridine-3-carboxylic acid. This compound is a versatile building block in pharmaceutical and agrochemical synthesis, offering a reactive fluorinated heterocyclic scaffold for nucleophilic substitution and metal-catalyzed coupling reactions. Its carboxylic acid functionality enables further derivatization via esterification, amidation, or reduction. Supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), it is packaged under inert gas to ensure stability. Ideal for medicinal chemistry, this compound is particularly valuable in the development of kinase inhibitors and other bioactive molecules. Store in a cool, dry place at 2-8°C, protected from light and moisture.

Properties

• CAS Number: 393-55-5
• Complexity: 140
• IUPAC Name: 2-fluoropyridine-3-carboxylic acid
• InChI: InChI=1S/C6H4FNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
• InChI Key: LLLVHTWJGWNRBD-UHFFFAOYSA-N
• Exact Mass: 141.02260653
• Molecular Formula: C6H4FNO2
• Molecular Weight: 141.10
• SMILES: C1=CC(=C(N=C1)F)C(=O)O
• Topological: 50.2
• Monoisotopic Mass: 141.02260653
• Synonyms: 2-Fluoronicotinic acid, 393-55-5, EINECS 206-888-8, DTXSID10192541, NSC 51588, DTXCID50115032, 206-888-8, 2-Fluoropyridine-3-carboxylic acid, 2-Fluoro-3-pyridinecarboxylic acid, 2-Fluoro-nicotinic acid, MFCD00040744, 2-Fluoronicotinicacid, fluoronicotinic acid, 2-fluoro nicotinic acid, SCHEMBL229352, CHEMBL394308, 2-Fluoro-3-pyridinecarboxylic acid (2-Fluoronicotinic acid), CS-D0952, NSC51588, NSC-51588, SBB004159, AKOS005063900, AB01814, AC-3187, PS-9024, SY004382, 2-Fluoro-3-pyridinecarboxylic acid, 97%, DB-031390, F0575, NS00042719, ST50823727, EN300-92165, AI-942/25034137, Z1203161997

Application

2-Fluoronicotinic acid serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and antiviral agents. Its reactive fluorine atom enables selective functionalization for structure-activity relationship (SAR) studies. Researchers utilize it in cross-coupling reactions (e.g., Suzuki-Miyaura) to construct complex heterocycles. The carboxylic acid group facilitates conjugation to peptides or other scaffolds in drug discovery.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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