Common name
2-(trifluoromethyl)pyridine
IUPAC name
2-(trifluoromethyl)pyridine
SMILES
C(F)(F)(F)c1ncccc1
Common name
2-(trifluoromethyl)pyridine
IUPAC name
2-(trifluoromethyl)pyridine
SMILES
C(F)(F)(F)c1ncccc1
INCHI
InChI=1S/C6H4F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H
FORMULA
C6H4F3N
Common name
2-(trifluoromethyl)pyridine
IUPAC name
2-(trifluoromethyl)pyridine
Molecular weight
147.098
clogP
2.359
clogS
-2.284
Frequency
0.0014
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
12.89
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02314 | sulfoxaflor |
|
Insecticide | Insecticide |
| FDBD02682 | dithiopyr |
|
Herbicide | Herbicide |
| FDBD02849 | bicyclopyrone |
|
Herbicide | Herbicide |
| FDBD02983 | picoxystrobin |
|
Fungicide | Fungicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k2g_ligand_1_0.mol2 | 4k2g | 1 | -6.75 | FC(F)(F)c1ncccc1 | 10 |
| 4azy_ligand_1_3.mol2 | 4azy | 1 | -6.45 | c1ccnc(c1)C(F)(F)F | 10 |
| 4cc6_ligand_1_4.mol2 | 4cc6 | 1 | -6.45 | C(F)(F)(F)c1ncccc1 | 10 |
| 4b05_ligand_1_3.mol2 | 4b05 | 1 | -6.20 | C(F)(F)c1ncccc1 | 9 |
| 2bxu_ligand_1_0.mol2 | 2bxu | 1 | -6.03 | C(F)(F)c1ncccc1 | 9 |
| 1mu6_ligand_1_0.mol2 | 1mu6 | 1 | -6.00 | C(F)(F)c1ncccc1 | 9 |
| 1mu8_ligand_1_0.mol2 | 1mu8 | 1 | -5.98 | C(F)(F)c1ncccc1 | 9 |
| 4cc6_ligand_2_8.mol2 | 4cc6 | 0.847826 | -6.50 | C(F)(F)(F)c1nccc(N)c1 | 11 |
| 1z71_ligand_1_0.mol2 | 1z71 | 0.829787 | -6.12 | C(F)(F)c1cccc[n+]1O | 10 |
102 ,
11
