Basic information
- CAS
164149-37-5- Standard SMILES
O=C(NCc1ccccn1)c1cnccc1C(F)(F)F- InChIKey
KUYKWCUVWMJAFY-UHFFFAOYSA-N- Molecular formula
- C13H10F3N3O
- Average molar mass
- 281.23 g/mol
- Monoisotopic mass
- 281.07759644
Names & identifiers
- Preferred name
- 3-Pyridinecarboxamide, N-(2-pyridinylmethyl)-4-(trifluoromethyl)-
- IUPAC
- N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
Names & synonyms
164149-37-53-Pyridinecarboxamide, N-(2-pyridinylmethyl)-4-(trifluoromethyl)-SCHEMBL4907748DTXSID50469628KUYKWCUVWMJAFY-UHFFFAOYSA-NN-[(Pyridin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
Database identifiers
- CAS
164149-37-5- PubChem CID
- 11623312
- DTXSID
DTXSID50469628
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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