IUPAC name
2-bromo-2-(bromomethyl)pentanedinitrile
SMILES
C(CC(CBr)(C#N)Br)C#N
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
bromothalonil
IUPAC name
2-bromo-2-(bromomethyl)pentanedinitrile
SMILES
C(CC(CBr)(C#N)Br)C#N
INCHI
InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2
FORMULA
C6H6Br2N2
Common name
bromothalonil
IUPAC name
2-bromo-2-(bromomethyl)pentanedinitrile
Molecular weight
265.933
clogP
2.016
clogS
-3.021
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
47.58
Number of Rings
0
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00569 | acetonitrile |
|
CC#N | 0.0161 |
| FDBF01513 | propanenitrile |
|
C(C#N)C | 0.0048 |
| FDBF06811 | (S)-2-bromopropanenitrile |
|
[C@@H](Br)(C#N)C | 0.0003 |
| FDBF06812 | (S)-2,3-dibromopropanenitrile |
|
[C@H](Br)(C#N)CBr | 0.0003 |
| FDBF06813 | (S)-2,3-dibromo-2-methylpropanenitrile |
|
[C@@](Br)(C#N)(CBr)C | 0.0003 |
| FDBF06815 | 2-bromoacetonitrile |
|
C(Br)C#N | 0.0003 |
6 ,
1
