2-(3,5-Difluoro-pyridin-2-yl)-malonic acid diethyl ester
Basic information
- CAS
896107-33-8- Standard SMILES
CCOC(=O)C(C(=O)OCC)c1ncc(F)cc1F- InChIKey
RHJHXQJBPCEKKR-UHFFFAOYSA-N- Molecular formula
- C12H13F2NO4
- Average molar mass
- 273.23 g/mol
- Monoisotopic mass
- 273.08126422
Names & identifiers
- Preferred name
- 2-(3,5-Difluoro-pyridin-2-yl)-malonic acid diethyl ester
- IUPAC
- diethyl 2-(3,5-difluoro-2-pyridinyl)propanedioate
Names & synonyms
2-(3,5-Difluoro-pyridin-2-yl)-malonic acid diethyl ester896107-33-8SCHEMBL12985296RHJHXQJBPCEKKR-UHFFFAOYSA-NDTXSID201214161Diethyl (3,5-difluoropyridin-2-yl)propanedioate1,3-Diethyl 2-(3,5-difluoro-2-pyridinyl)propanedioate
Database identifiers
- CAS
896107-33-8- PubChem CID
- 70817606
- DTXSID
DTXSID201214161
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
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Related reactions
2 records
Compound notes
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