3-Acetyl-2,6-dichloropyridine
Product Specifications
- CAS
- 412018-50-9
- MF
- C7H5Cl2NO
- Appearance
- colorless to yellow liquid or solid
- Synonym(s)
- 1-(2,6-dichloropyridin-3-yl)ethanone；1-(2,6-dichloropyridin-3-yl)ethan-1-one; 1-(2,6-Dichloro-3-pyridyl)ethanone; 1-(2,6-Dichloro-3-pyridinyl)-ethanone
- Shipping
- ambient temperature
- Storage
- 2-8°C
3-Acetyl-2,6-dichloropyridine denotes CAS 412018-50-9 and molecular formula C7H5Cl2NO. PubChem returns one result for this CAS, CID 53402463, titled 1-(2,6-Dichloropyridin-3-yl)ethan-1-one. The shorter acetyl wording is listed among that compound’s official synonyms. Both names retain chlorine at the 2 and 6 positions and place the two-carbon carbonyl substituent at pyridine position 3.
The confirmed SMILES is CC(=O)C1=C(N=C(C=C1)Cl)Cl. It explicitly connects the acetyl carbonyl to the aromatic ring and shows the two chlorines flanking the ring nitrogen region. PubChem’s InChIKey XOEFQKGFPDZVKF-UHFFFAOYSA-N matches the full InChI stored on the page. Formula C7H5Cl2NO supplies the elemental count, while these structure identifiers preserve the positional pattern that distinguishes other dichloroacetylpyridines.
For reliable name-to-structure matching, pair CAS 412018-50-9 with either the acetyl title or PubChem’s ethanone expression. A MOL or SDF graph can be compared with CID 53402463 for the same carbonyl attachment and 2,6-dichloro arrangement. The page SMILES and InChIKey provide additional independent reference points if a label omits punctuation. Both chlorine atoms and the pyridine nitrogen remain explicit in that comparison. The scope here is the verified molecular identity, with no assertion about fields not established by those sources.