Common name
2-methoxy-6-(trifluoromethyl)pyridine
IUPAC name
2-methoxy-6-(trifluoromethyl)pyridine
SMILES
O(C)c1nc(C(F)(F)F)ccc1
Common name
2-methoxy-6-(trifluoromethyl)pyridine
IUPAC name
2-methoxy-6-(trifluoromethyl)pyridine
SMILES
O(C)c1nc(C(F)(F)F)ccc1
INCHI
InChI=1S/C7H6F3NO/c1-12-6-4-2-3-5(11-6)7(8,9)10/h2-4H,1H3
FORMULA
C7H6F3NO
Common name
2-methoxy-6-(trifluoromethyl)pyridine
IUPAC name
2-methoxy-6-(trifluoromethyl)pyridine
Molecular weight
177.124
clogP
2.343
clogS
-2.582
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
22.12
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02983 | picoxystrobin |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k2g_ligand_1_0.mol2 | 4k2g | 0.609375 | -6.75 | FC(F)(F)c1ncccc1 | 10 |
| 4azy_ligand_1_3.mol2 | 4azy | 0.609375 | -6.45 | c1ccnc(c1)C(F)(F)F | 10 |
| 4cc6_ligand_1_4.mol2 | 4cc6 | 0.609375 | -6.45 | C(F)(F)(F)c1ncccc1 | 10 |
| 4b05_ligand_1_3.mol2 | 4b05 | 0.609375 | -6.20 | C(F)(F)c1ncccc1 | 9 |
| 2bxu_ligand_1_0.mol2 | 2bxu | 0.609375 | -6.03 | C(F)(F)c1ncccc1 | 9 |
| 1mu6_ligand_1_0.mol2 | 1mu6 | 0.609375 | -6.00 | C(F)(F)c1ncccc1 | 9 |
| 1mu8_ligand_1_0.mol2 | 1mu8 | 0.609375 | -5.98 | C(F)(F)c1ncccc1 | 9 |
| 3hc8_ligand_1_5.mol2 | 3hc8 | 0.5625 | -6.42 | c1ccc(nc1)OC | 8 |
105 ,
11
