Basic information
- Standard SMILES
COC(=O)c1c(C(C)C)nc(C(C)C)c(CC=O)c1-c1ccc(F)cc1- InChIKey
ZKJHYLAGFXZELO-UHFFFAOYSA-N- Molecular formula
- C21H24FNO3
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.17402179
Names & identifiers
- Preferred name
- Methyl-2,6-diisopropyl-4-(4-fluorophenyl)-5-(2-oxoethyl)-3-pyridinecarboxylate
- IUPAC
- methyl 4-(4-fluorophenyl)-5-(2-oxoethyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate
Names & synonyms
SCHEMBL2646545ZKJHYLAGFXZELO-UHFFFAOYSA-NMethyl-2,6-diisopropyl-4-(4-fluorophenyl)-5-(2-oxoethyl)-3-pyridinecarboxylate
Database identifiers
- PubChem CID
- 22005171
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
Related reactions
4 records
Compound notes
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