Description

5-Bromo-4-methylpyridine-2-carbonitrile (CAS No. 886364-86-9) is a high-purity heterocyclic compound with the molecular formula C₇H₅BrN₂. This specialized pyridine derivative features a bromo substituent at the 5-position and a nitrile group at the 2-position, making it a valuable intermediate for pharmaceutical and agrochemical synthesis. The compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency in quality and performance. Ideal for researchers in medicinal chemistry, it serves as a key building block for the development of novel bioactive molecules. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 886364-86-9
• Complexity: 160
• IUPAC Name: 5-bromo-4-methyl-pyridine-2-carbonitrile
• InChI: InChI=1S/C7H5BrN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,1H3
• InChI Key: JAQLBGDFALXUMV-UHFFFAOYSA-N
• Exact Mass: 195.96361
• Molecular Formula: C7H5BrN2
• Molecular Weight: 197.03
• SMILES: CC1=CC(=NC=C1Br)C#N
• Topological: 36.7
• Monoisotopic Mass: 195.96361
• Synonyms: 886364-86-9, 5-Bromo-4-methylpyridine-2-carbonitrile, DTXSID10694156, DTXCID20644905, 691-626-9, 5-Bromo-4-methylpicolinonitrile, 5-Bromo-2-cyano-4-methylpyridine, 5-BROMO-4-METHYL-2-PYRIDINECARBONITRILE, 5-bromo-4-methyl-pyridine-2-carbonitrile, MFCD07375090, SCHEMBL153228, JAQLBGDFALXUMV-UHFFFAOYSA-N, AKOS006286089, AB41150, CS-W019687, FS-3207, SY065579, DB-078045

Application

5-Bromo-4-methylpyridine-2-carbonitrile is widely utilized as a versatile intermediate in organic synthesis, particularly in the construction of pyridine-based pharmacophores. Its reactive bromo and nitrile groups enable cross-coupling reactions (e.g., Suzuki, Buchwald-Hartwig) for drug discovery applications. The compound is also employed in the development of ligands for catalysis and as a precursor for functionalized pyridines in material science. Researchers value its utility in designing kinase inhibitors and other small-molecule therapeutics.

Safety and Hazards

GHS Hazard Statements

• H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (97.4%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (97.4%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.