3-Bromo-4-cyanopyridine
Product Specifications
- CAS
- 13958-98-0
- MF
- C6H3BrN2
- Appearance
- white solid
- Synonym(s)
- 3-bromoisonicotinonitrile; 3-bromo-4-pyridinecarbonitrile; 2-Chloro-3-fluoro-1-nitrobenzene; 4-Pyridinecarbonitrile,3-bromo-
- Shipping
- ambient temperature
- Storage
- 2-8°C
3-Bromo-4-cyanopyridine is identified by CAS 13958-98-0 and molecular formula C6H3BrN2. PubChem resolves this CAS number uniquely to CID 11074051. The cited public record provides SMILES C1=CN=CC(=C1C#N)Br and InChIKey KUTYTAQNNGQMEG-UHFFFAOYSA-N. The name, CAS number, formula, CID, SMILES, and InChIKey describe the same compound and form a precise, publicly traceable identity set for this catalog entry.
This compact heteroaromatic record contains a pyridine ring with bromine at position 3 and a cyano group at position 4. Formula C6H3BrN2 reflects one ring nitrogen plus the nitrogen of the nitrile. In the verified SMILES C1=CN=CC(=C1C#N)Br, C#N identifies the triple-bonded cyano carbon and nitrogen, while Br is attached to the adjacent ring position. That adjacency is the defining positional feature expressed by the product name. The two substituent locants should be read relative to the pyridine nitrogen, not as interchangeable labels.
PubChem maps CAS 13958-98-0 uniquely to CID 11074051 and reports the same connectivity held by the page record. InChIKey KUTYTAQNNGQMEG-UHFFFAOYSA-N offers a concise lookup value for the neutral structure, and formula C6H3BrN2 agrees with the brominated nitrile graph. Reading 3-Bromo-4-cyanopyridine together with C1=CN=CC(=C1C#N)Br makes the substitution order explicit. This evidence distinguishes the entry from other bromocyanopyridines whose bromine or nitrile occupies a different pyridine carbon. It also prevents the cyano nitrogen from being confused with the nitrogen already present in the six-membered aromatic ring.