4-(Pyridin-3-yl)-2-(trifluoromethoxy)benzonitrile
Basic information
- CAS
1214353-26-0- Standard SMILES
N#Cc1ccc(-c2cccnc2)cc1OC(F)(F)F- InChIKey
UBXLYTSMZUACNK-UHFFFAOYSA-N- Molecular formula
- C13H7F3N2O
- Average molar mass
- 264.2 g/mol
- Monoisotopic mass
- 264.05104734
Names & identifiers
- Preferred name
- 4-(Pyridin-3-yl)-2-(trifluoromethoxy)benzonitrile
- IUPAC
- 4-pyridin-3-yl-2-(trifluoromethoxy)benzonitrile
Names & synonyms
4-(Pyridin-3-yl)-2-(trifluoromethoxy)benzonitrile1214353-26-0DTXSID3012367984-(3-Pyridinyl)-2-(trifluoromethoxy)benzonitrileA1-74925
Database identifiers
- CAS
1214353-26-0- PubChem CID
- 46316992
- DTXSID
DTXSID301236798
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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