Basic information
- Standard SMILES
CCOC(=O)N1C=CC(c2ccc(F)cc2)C(C(=O)OC)=C1- InChIKey
TYNYMAVEHUTQQM-UHFFFAOYSA-N- Molecular formula
- C16H16FNO4
- Average molar mass
- 305.3 g/mol
- Monoisotopic mass
- 305.10633615
Names & identifiers
- Preferred name
- 1,4-Dihydro-1-ethoxycarbonyl-4-(4'-fluorophenyl)-3-methoxycarbonylpyridine
- IUPAC
- 1-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-4H-pyridine-1,3-dicarboxylate
Names & synonyms
SCHEMBL9247095TYNYMAVEHUTQQM-UHFFFAOYSA-NAKOS0050644241,4-dihydro-1-ethoxycarbonyl-4-(4'-fluorophenyl)-3-methoxycarbonylpyridine
Database identifiers
- PubChem CID
- 11055866
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 481
Related reactions
1 records
Compound notes
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