1-(4-Ethoxycarbonyl-phenyl)-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid
Basic information
- Standard SMILES
CCOC(=O)c1ccc(-n2ccc(C(=O)O)cc2=O)cc1- InChIKey
CKTXLOVCBWGGSN-UHFFFAOYSA-N- Molecular formula
- C15H13NO5
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 287.07937252
Names & identifiers
- Preferred name
- 1-(4-Ethoxycarbonyl-phenyl)-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid
- IUPAC
- 1-(4-ethoxycarbonylphenyl)-2-oxopyridine-4-carboxylic acid
Names & synonyms
SCHEMBL205374CKTXLOVCBWGGSN-UHFFFAOYSA-N1256385-27-9DB-1160571-(4-Ethoxycarbonyl-phenyl)-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid
Database identifiers
- PubChem CID
- 59611448
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 500
Related reactions
11 records
Compound notes
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