Basic information
- Standard SMILES
CCOC(=O)CC(=O)c1cc(F)c(O)nc1Nc1ccc(F)cc1F- InChIKey
DTDJTYROZSFKKY-UHFFFAOYSA-N- Molecular formula
- C16H13F3N2O4
- Average molar mass
- 354.28 g/mol
- Monoisotopic mass
- 354.08274139
Names & identifiers
- Preferred name
- Ethyl 2-[2-(2,4-difluorophenylamino)-5-fluoro-6-hydroxynicotinoyl]acetate
- IUPAC
- ethyl 3-[2-(2,4-difluoroanilino)-5-fluoro-6-oxo-1H-pyridin-3-yl]-3-oxopropanoate
Names & synonyms
SCHEMBL10548932DTDJTYROZSFKKY-UHFFFAOYSA-Nethyl 2-[2-(2,4-difluorophenylamino)-5-fluoro-6-hydroxynicotinoyl]acetate
Database identifiers
- PubChem CID
- 13849315
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 633
Related reactions
15 records
Compound notes
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