Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)c1ncccc1F- InChIKey
MLNQHIHZBAQNKM-UHFFFAOYSA-N- Molecular formula
- C12H14FNO4
- Average molar mass
- 255.24 g/mol
- Monoisotopic mass
- 255.09068609
Names & identifiers
- Preferred name
- Diethyl (3-fluoro-2-pyridyl)malonate
- IUPAC
- diethyl 2-(3-fluoro-2-pyridinyl)propanedioate
Names & synonyms
diethyl 2-(3-fluoropyridin-2-yl)malonateSCHEMBL896383MLNQHIHZBAQNKM-UHFFFAOYSA-Ndiethyl (3-fluoro-2-pyridyl)malonate940933-39-1Diethyl,2-(3-fluoropyridin-2-yl)malonateDB-208483
Database identifiers
- PubChem CID
- 57950221
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
6 records
Compound notes
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