Description

5-Bromo-6-methylpyridine-2-carbonitrile (CAS No. 1173897-86-3) is a high-purity heterocyclic organic compound with the molecular formula C₇H₅BrN₂. This brominated pyridine derivative features a nitrile functional group at the 2-position and a methyl group at the 6-position, making it a versatile intermediate for pharmaceutical and agrochemical synthesis. Its precise molecular structure (IUPAC name: 5-bromo-6-methylpyridine-2-carbonitrile) ensures consistent reactivity in cross-coupling reactions, nucleophilic substitutions, and other transformations. Supplied as a crystalline solid with ≥95% purity (HPLC), it is rigorously tested for trace metals, residual solvents, and moisture content. Ideal for medicinal chemistry, this compound is packaged under inert gas in amber glass vials to ensure stability and longevity. Available in research (mg to g) and bulk (kg) quantities with optional custom purity and packaging.

Properties

• CAS Number: 1173897-86-3
• Complexity: 160
• IUPAC Name: 5-bromo-6-methyl-pyridine-2-carbonitrile
• InChI: InChI=1S/C7H5BrN2/c1-5-7(8)3-2-6(4-9)10-5/h2-3H,1H3
• InChI Key: NFJCCSONEBUNGR-UHFFFAOYSA-N
• Exact Mass: 195.96361
• Molecular Formula: C7H5BrN2
• Molecular Weight: 197.03
• SMILES: CC1=C(C=CC(=N1)C#N)Br
• Topological: 36.7
• Monoisotopic Mass: 195.96361
• Synonyms: 1173897-86-3, 5-BROMO-6-METHYLPYRIDINE-2-CARBONITRILE, 5-Bromo-6-methyl-2-pyridinecarbonitrile, DTXSID60678582, DTXCID00629331, 869-837-4, 5-Bromo-6-methylpicolinonitrile, 2-Pyridinecarbonitrile, 5-bromo-6-methyl-, MFCD13181587, 5-Bromo-6-methyl-pyridine-2-carbonitrile, 5-Bromo-6-methylpicolinonitrile;5-Bromo-6-methylpyridine-2-carbonitrile, SCHEMBL149575, NFJCCSONEBUNGR-UHFFFAOYSA-N, 3-bromo-2-methyl-6-cyanopyridine, 5-Bromo-2-cyano-6-methylpyridine, YWB89786, AKOS016006957, CS-W006150, FS-3700, SB21493, SY113341, DB-061005, DB-317510, EN300-116343, Z1255495365

Application

5-Bromo-6-methylpyridine-2-carbonitrile serves as a key building block in the synthesis of bioactive molecules, particularly in the development of kinase inhibitors and antiviral agents. Its bromine and nitrile groups enable efficient Suzuki-Miyaura and cyanation reactions for derivatization. Researchers utilize this compound in fragment-based drug discovery (FBDD) due to its balanced lipophilicity and hydrogen-bonding capacity. It is also employed in material science for constructing nitrogen-rich ligands in coordination chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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+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 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• 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.