3-Bromo-5-methoxypyridine 1-oxide

3-Bromo-5-methoxypyridine 1-oxide is the PubChem Title for CID 4564161 and CAS 78156-39-5. The molecular formula is C6H6BrNO2, the SMILES is COC1=CC(=C[N+](=C1)[O-])Br, and the InChIKey is KHOPHTRZCOJGRR-UHFFFAOYSA-N. PubChem explicitly lists “3-bromo-5-methoxypyridine N-oxide” as a synonym of this record.

The pyridine ring contains five carbons and one nitrogen. Bromine occupies position 3, while a methoxy group at position 5 contributes the sixth carbon and one oxygen. The second oxygen is bonded to ring nitrogen as the N-oxide. SMILES expresses that bond through internal positive and negative formal charges, but both charged atoms remain in one overall neutral component; no counterion is present. There is also no stereochemical layer. Calling the group “N-oxide” or “1-oxide” identifies the same nitrogen-oxygen connection. Both ring locants remain essential because moving bromine or methoxy would create another connectivity with the same elemental composition.

An Rlavie inquiry should cite CAS 78156-39-5 and the preferred 1-oxide name, together with the requested quantity and request-specific information. When sending a MOL or SDF structure file, retain the pyridine N-oxide charges and confirm the 3-bromo/5-methoxy pattern. CID 4564161 or InChIKey KHOPHTRZCOJGRR-UHFFFAOYSA-N provides a database-level comparison point. These references keep the request aligned with this single N-oxide graph rather than a bromomethoxypyridine positional isomer.