Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(=O)c1ccc(Cl)nc1Cl- InChIKey
FPKZHZLZWDUACK-UHFFFAOYSA-N- Molecular formula
- C13H13Cl2NO5
- Average molar mass
- 334.15 g/mol
Names & identifiers
- Preferred name
- Diethyl (2,6-dichloronicotinoyl)-malonate
- IUPAC
- diethyl 2-(2,6-dichloropyridine-3-carbonyl)propanedioate
Names & synonyms
SCHEMBL8801541FPKZHZLZWDUACK-UHFFFAOYSA-Ndiethyl (2,6-dichloronicotinoyl)-malonate
Database identifiers
- PubChem CID
- 22077288
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
1 records
Compound notes
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