2,6-DI-ME-4(5-(3-Tri-F-methyl-PH)-furan-2-YL)-1,4-2H-pyridine-3,5-dicarbonitrile
Basic information
- CAS
450363-11-8- Standard SMILES
CC1=C(C#N)C(c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(C#N)=C(C)N1- InChIKey
WNLULZCVXFNXDQ-UHFFFAOYSA-N- Molecular formula
- C20H14F3N3O
- Average molar mass
- 369.3 g/mol
- Monoisotopic mass
- 369.10889656
Names & identifiers
- Preferred name
- 2,6-DI-ME-4(5-(3-Tri-F-methyl-PH)-furan-2-YL)-1,4-2H-pyridine-3,5-dicarbonitrile
- IUPAC
- 2,6-dimethyl-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
- English name
- 2,6-Di-Me-4(5-(3-tri-F-methyl-Ph)-furan-2-yl)-1,4-2H-pyridine-3,5-dicarbonitrile
- Molecular formula
- C20H14F3N3O
- Molecular weight
- 369.34
Names & synonyms
AKOS0243261002,6-DI-ME-4(5-(3-TRI-F-METHYL-PH)-FURAN-2-YL)-1,4-2H-PYRIDINE-3,5-DICARBONITRILE3,5-Pyridinedicarbonitrile, 1,4-dihydro-2,6-dimethyl-4-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-
Database identifiers
- CAS
450363-11-8- PubChem CID
- 3569320
- EC Number
- 158-189-1
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 726
Physicochemical properties
- Boiling point
- 501.399 · 501.399±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.352 · 1.352±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.86 · 0.860±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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