Basic information
- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc([N+](=O)[O-])ccc1F- InChIKey
JGOTXCCXOKQEIL-UHFFFAOYSA-N- Molecular formula
- C17H17FN2O6
- Average molar mass
- 364.32 g/mol
Names & identifiers
- Preferred name
- Dimethyl 4-(2-fluoro-5-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
- IUPAC
- dimethyl 4-(2-fluoro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL10730517JGOTXCCXOKQEIL-UHFFFAOYSA-Ndimethyl 4-(2-fluoro-5-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Database identifiers
- PubChem CID
- 20165357
- Nikkaji
- J528.853C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 643
Related reactions
2 records
Compound notes
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