Basic information
- CAS
164341-40-6- Standard SMILES
O=C(NCc1ccc(C(F)(F)F)cn1)c1cnccc1C(F)(F)F- InChIKey
ZKJSCHHUTUXLAB-UHFFFAOYSA-N- Molecular formula
- C14H9F6N3O
- Average molar mass
- 349.23 g/mol
- Monoisotopic mass
- 349.06498089
Names & identifiers
- Preferred name
- 4-(trifluoromethyl)-N-[[5-(trifluoromethyl)pyridin-2-yl]methyl]pyridine-3-carboxamide
- IUPAC
- 4-(trifluoromethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
Names & synonyms
4-(trifluoromethyl)-N-[[5-(trifluoromethyl)pyridin-2-yl]methyl]pyridine-3-carboxamide4-(Trifluoromethyl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}pyridine-3-carboxamideSCHEMBL4916162ZKJSCHHUTUXLAB-UHFFFAOYSA-NDTXSID501127723164341-40-64-(Trifluoromethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3-pyridinecarboxamide
Database identifiers
- CAS
164341-40-6- PubChem CID
- 11660291
- DTXSID
DTXSID501127723
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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