Basic information
- Standard SMILES
CCNc1cc(-c2cccc(C(F)(F)F)c2)nc(C#N)c1[N+](=O)[O-]- InChIKey
PDKSYAZLTYMMGG-UHFFFAOYSA-N- Molecular formula
- C15H11F3N4O2
- Average molar mass
- 336.27 g/mol
Names & identifiers
- Preferred name
- 4-Ethylamino-3-nitro-6-(3-trifluoromethyl-phenyl)-pyridine-2-carbonitrile
- IUPAC
- 4-(ethylamino)-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
Names & synonyms
4-Ethylamino-3-nitro-6-(3-trifluoromethyl-phenyl)-pyridine-2-carbonitrileSCHEMBL3112612
Database identifiers
- PubChem CID
- 68516396
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
Related reactions
3 records
Compound notes
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