Basic information
- Standard SMILES
N#Cc1ccc(C2CNC2)nc1.O=C(O)C(F)(F)F- InChIKey
RLBQWVPSTSVVCD-UHFFFAOYSA-N- Molecular formula
- C11H10F3N3O2
- Average molar mass
- 273.21 g/mol
- Monoisotopic mass
- 273.07251106
Names & identifiers
- Preferred name
- 6-(azetidin-3-yl)nicotinonitrile TFA salt
- IUPAC
- 6-(azetidin-3-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
Names & synonyms
6-(azetidin-3-yl)nicotinonitrile TFA salt
Database identifiers
- PubChem CID
- 86673532
Properties
Computed structural properties
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Related reactions
1 records
Compound notes
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