3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluorophenyl)-, methyl 2-propenyl ester
Basic information
- CAS
39562-67-9- Standard SMILES
C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1F- InChIKey
MUMTTZTWVFEGKP-UHFFFAOYSA-N- Molecular formula
- C19H20FNO4
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.13763628
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluorophenyl)-, methyl 2-propenyl ester
- IUPAC
- 3-O-methyl 5-O-prop-2-enyl 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
39562-67-93,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluorophenyl)-, methyl 2-propenyl esterRefChem:1066008Methyl 2-propenyl 2,6-dimethyl-4-(2-fluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxylateSCHEMBL11776554DTXSID60960171
Database identifiers
- CAS
39562-67-9- PubChem CID
- 217748
- DTXSID
DTXSID60960171
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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