2-[5,7-Bis(trifluoromethyl)[1,8]naphthyridin-2-yl]-2-phenylacetonitrile
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Basic information
- CAS
338791-75-6- Standard SMILES
N#CC(c1ccccc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1- InChIKey
SKRWCLXPEBYLAL-UHFFFAOYSA-N- Molecular formula
- C18H9F6N3
- Average molar mass
- 381.3 g/mol
Names & identifiers
- Preferred name
- 2-[5,7-Bis(trifluoromethyl)[1,8]naphthyridin-2-yl]-2-phenylacetonitrile
- IUPAC
- 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-phenylacetonitrile
- English name
- 1,8-Naphthyridine-2-acetonitrile,alpha-phenyl-5,7-bis(trifluoromethyl)-(9CI)
- Molecular formula
- C18H9F6N3
- Molecular weight
- 381.28
Names & synonyms
338791-75-62-[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]-2-phenylacetonitrile2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-phenylacetonitrileMFCD00231977SMR000125431MLS0005399732-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-phenyl-acetonitrile2-(5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl)-2-phenylacetonitrileBionet1_001616CHEMBL1586616BDBM59512cid_3567991
Show more names
1,8-Naphthyridine-2-acetonitrile, α-phenyl-5,7-bis(trifluoromethyl)-
HMS572M18REGID_for_CID_3567991HMS2176C09AKOS0050973826G-041MLS-0079819.00012-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-phenyl-ethanenitrile1,8-Naphthyridine-2-acetonitrile,alpha-phenyl-5,7-bis(trifluoromethyl)-(9CI)
Database identifiers
- CAS
338791-75-6- ChEMBL
CHEMBL1586616
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 560
Physicochemical properties
- Boiling point
- 399.3 · 399.3±37.0 °C(Predicted)
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- pka
- -3.34 · -3.34±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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