2-(Cyanomethyl)nicotinonitrile
Names and Identifiers of 2-(Cyanomethyl)nicotinonitrile
CAS Number |
1000536-35-5 |
|---|---|
MDL Number |
MFCD09924381 |
IUPAC Name |
2-(cyanomethyl)pyridine-3-carbonitrile |
InChI |
InChI=1S/C8H5N3/c9-4-3-8-7(6-10)2-1-5-11-8/h1-2,5H,3H2 |
InChIKey |
PEWTXYKOGAPLSZ-UHFFFAOYSA-N |
Canonical SMILES |
C1=CC(=C(N=C1)CC#N)C#N |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2-(Cyanomethyl)nicotinonitrile
Acidity coefficient |
-0.27±0.22(Predicted) |
|---|---|
Boiling Point |
297.9±25.0 °C(Predicted) |
Density |
1.19±0.1 g/cm3(Predicted) |
Exact Mass |
143.04800 |
H Bond Acceptors |
3 |
H Bond Donors |
0 |
LogP |
1.01936 |
Molecular Formula |
C8H5N3 |
Molecular Weight |
143.14500 |
PSA |
60.47000 |
Storage condition |
2-8°C |
Safety Information of 2-(Cyanomethyl)nicotinonitrile
Applications of 2-(Cyanomethyl)nicotinonitrile
2-(Cyanomethyl)nicotinonitrile has potential applications in:
- Medicinal Chemistry: Due to its structural properties, it may serve as a scaffold for developing new pharmaceuticals targeting various diseases, particularly cancer.
- Organic Synthesis: It can be used as an intermediate in synthesizing more complex organic molecules.
- Material Science: Compounds with similar structures are explored for their use in creating advanced materials due to their unique electronic properties.
Interaction Studies of 2-(Cyanomethyl)nicotinonitrile
Interaction studies involving 2-(Cyanomethyl)nicotinonitrile focus on its reactivity with biological molecules. Preliminary studies suggest that its nitrile groups may facilitate interactions with enzymes or receptors, potentially influencing biological pathways. Further research is needed to elucidate these interactions fully and assess their implications for drug design.
Biological Activity of 2-(Cyanomethyl)nicotinonitrile
Research indicates that compounds similar to 2-(Cyanomethyl)nicotinonitrile exhibit various biological activities, particularly in medicinal chemistry. Some studies have suggested potential anticancer properties due to structural similarities with known anticancer agents . The presence of multiple nitrile groups may enhance its interaction with biological targets, making it a candidate for further pharmacological evaluation.