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Basic information
- Standard SMILES
CCOC(=O)c1ccc(OCc2ccc(F)cc2)nc1C(=O)OCC- InChIKey
HTJZQSBXQCTAKL-UHFFFAOYSA-N- Molecular formula
- C18H18FNO5
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 347.11690084
Names & identifiers
- Preferred name
- 6-(4-Fluoro-benzyloxy)-pyridine-2,3-dicarboxylic acid diethyl ester
- IUPAC
- diethyl 6-[(4-fluorophenyl)methoxy]pyridine-2,3-dicarboxylate
Names & synonyms
SCHEMBL6307750HTJZQSBXQCTAKL-UHFFFAOYSA-N6-(4-Fluoro-benzyloxy)-pyridine-2,3-dicarboxylic acid diethyl ester
Database identifiers
- PubChem CID
- 69737113
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
Related reactions
3 records
Compound notes
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