[4-(6-Nitropyridin-3-yl)piperazin-1-yl]-(2-trifluoromethylphenyl)-methanone

HCID 39235237
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1
InChIKey
PAMWHWUFXZCTIJ-UHFFFAOYSA-N
Molecular formula
C17H15F3N4O3
Average molar mass
380.32 g/mol

Names & identifiers

Preferred name
[4-(6-Nitropyridin-3-yl)piperazin-1-yl]-(2-trifluoromethylphenyl)-methanone
IUPAC
[4-(6-nitro-3-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

Names & synonyms

[4-(6-nitropyridin-3-yl)piperazin-1-yl]-(2-trifluoromethylphenyl)-methanoneSCHEMBL2721645

Database identifiers

PubChem CID
39235237

Properties

Computed structural properties

XLogP
3
Topological polar surface area
82.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
27

Related reactions

3 records
New reaction record

Compound notes

Loading…