Basic information
- Standard SMILES
COC(=O)c1c[nH]c(=O)c(-c2ccc(F)cc2)c1- InChIKey
WWTSTMVTGUMQIC-UHFFFAOYSA-N- Molecular formula
- C13H10FNO3
- Average molar mass
- 247.22 g/mol
- Monoisotopic mass
- 247.06447134
Names & identifiers
- Preferred name
- Methyl 5-(4-fluorophenyl)-6-hydroxynicotinate
- IUPAC
- methyl 5-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate
Names & synonyms
METHYL 5-(4-FLUOROPHENYL)-6-HYDROXYNICOTINATE1225462-67-8SCHEMBL2263369WWTSTMVTGUMQIC-UHFFFAOYSA-NH61999F570075Methyl 5-(4-fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
Database identifiers
- PubChem CID
- 67339481
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 420
Related reactions
5 records
Compound notes
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