6-Cyanopyridine-2-carboxylic acid
Product Specifications
- CAS
- 872602-74-9
- Molecular Formula
- C7H4N2O2
- Appearance
- yellow to off-white solid
- Synonym(s)
- 6-Cyanopyridine-2-carboxylicacid; 6-cyano-2-Pyridinecarboxylic acid; 2-Pyridinecarboxylic acid, 6-cyano-
- Shipping
- ambient temperature
- Storage
- 2-8°C
- SMILES
- C1=CC(=NC(=C1)C(=O)O)C#N
- InChI
- InChI=1S/C7H4N2O2/c8-4-5-2-1-3-6(9-5)7(10)11/h1-3H,(H,10,11)
Product Information
6-Cyanopyridine-2-carboxylic acid corresponds to CAS 872602-74-9 and PubChem CID 21253039. Its verified molecular formula is C7H4N2O2. PubChem expresses the connectivity as SMILES C1=CC(=NC(=C1)C(=O)O)C#N, while InChIKey NDFGHOYJWGPBEH-UHFFFAOYSA-N provides a compact structure reference. Each identifier points to the same pyridine carboxylic acid record.
The pyridine nitrogen defines position 1 of the aromatic ring. A carboxylic acid group occupies position 2 and a cyano group occupies position 6, placing both substituents next to the ring nitrogen on opposite sides. Formula C7H4N2O2 includes one ring nitrogen, one nitrile nitrogen, and the two oxygens of the carboxylic acid group. The nitrile carbon and carboxyl carbon account for the two carbons outside the five-carbon portion of the pyridine ring. No disconnected salt fragment or stereochemical layer appears in the verified representation. Changing either locant would create another pyridine isomer despite retaining the same elemental totals.
An inquiry can identify this material unambiguously by pairing the full name with CAS 872602-74-9. State the requested amount and a reply contact, then add any questions about identity documentation in the message field. PubChem CID 21253039 and InChIKey NDFGHOYJWGPBEH-UHFFFAOYSA-N offer independent cross-checks before submission. Rlavie can rely on the registry number and structural key to route the request to this exact 2-carboxylic acid, 6-cyano record. This avoids relying on the formula alone, which cannot communicate substitution positions around the pyridine ring.