4-(2-Fluoro-5-iodophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
Basic information
- CAS
892149-19-8- Standard SMILES
CC1=C(C#N)C(c2cc(I)ccc2F)C(C#N)=C(C)N1- InChIKey
UCEMLRBNKZOZNC-UHFFFAOYSA-N- Molecular formula
- C15H11FIN3
- Average molar mass
- 379.17 g/mol
- Monoisotopic mass
- 378.99817
Names & identifiers
- Preferred name
- 4-(2-Fluoro-5-iodophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
- IUPAC
- 4-(2-fluoro-5-iodophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
- English name
- 4-(2-Fluoro-5-iodophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
- Molecular formula
- C15H11FIN3
- Molecular weight
- 379.17
Names & synonyms
AKOS0244053374-(2-FLUORO-5-IODOPHENYL)-2,6-DIMETHYL-1,4-DIHYDRO-3,5-PYRIDINEDICARBONITRILE3,5-Pyridinedicarbonitrile, 4-(2-fluoro-5-iodophenyl)-1,4-dihydro-2,6-dimethyl-
Database identifiers
- CAS
892149-19-8- PubChem CID
- 5199569
- EC Number
- 114-725-6
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 536
Physicochemical properties
- Boiling point
- 451.244 · 451.244±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.685 · 1.685±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.736 · 0.736±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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