Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)c1ncc(Br)cc1Cl- InChIKey
UESQUZOXVUGPJY-UHFFFAOYSA-N- Molecular formula
- C12H13BrClNO4
- Average molar mass
- 350.59 g/mol
- Monoisotopic mass
- 348.97165
Names & identifiers
- Preferred name
- Diethyl 2-(5-bromo-3-chloropyridin-2-yl)malonate
- IUPAC
- diethyl 2-(5-bromo-3-chloro-2-pyridinyl)propanedioate
Names & synonyms
Diethyl 2-(5-bromo-3-chloropyridin-2-yl)malonate1383985-17-8SCHEMBL9948150SCHEMBL30499570UESQUZOXVUGPJY-UHFFFAOYSA-NDiethyl2-(5-bromo-3-chloropyridin-2-yl)malonate
Database identifiers
- PubChem CID
- 67979448
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Related reactions
8 records
Compound notes
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