Completing data — usually done within a minute
Basic information
- CAS
477290-50-9- Standard SMILES
N#Cc1ccc(NCCN)nc1.O=C(O)C(F)(F)F- InChIKey
LJEAUDWHRWXQIU-UHFFFAOYSA-N- Molecular formula
- C10H11F3N4O2
- Average molar mass
- 276.22 g/mol
- Monoisotopic mass
- 276.08341009
Names & identifiers
- Preferred name
- 6-[(2-Aminoethyl)amino]nicotinonitrile trifluoroacetate
- IUPAC
- 6-(2-aminoethylamino)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
Names & synonyms
6-[(2-Aminoethyl)amino]nicotinonitrile trifluoroacetateSCHEMBL3603250
Database identifiers
- CAS
477290-50-9- PubChem CID
- 68709665
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 255
Related reactions
12 records
Compound notes
Loading…