6-Chloro-4-methoxy-1-methyl-2-oxopyridine-3-carbonitrile
Basic information
- CAS
93769-12-1- Standard SMILES
COc1cc(Cl)n(C)c(=O)c1C#N- InChIKey
MUFXGOZEDGSKHG-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O2
- Average molar mass
- 198.6 g/mol
- Monoisotopic mass
- 198.0196052
Names & identifiers
- Preferred name
- 6-Chloro-4-methoxy-1-methyl-2-oxopyridine-3-carbonitrile
- IUPAC
- 6-chloro-4-methoxy-1-methyl-2-oxopyridine-3-carbonitrile
Names & synonyms
93769-12-1Pyridine-3-carbonitrile, 6-chloro-4-methoxy-1-methyl-2-oxo-6-chloro-4-methoxy-1-methyl-2-oxopyridine-3-carbonitrileDTXSID202395776-Chloro-4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
93769-12-1- PubChem CID
- 179735
- DTXSID
DTXSID20239577
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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