2-Amino-5-bromoisonicotinic acid
CAS No.:
1000339-23-0
M. Wt:
217.02000
M. Fa:
C6H5BrN2O2
InChI Key:
JJJKKHUIIDAXKW-UHFFFAOYSA-N
Appearance:
Yellow Solid
Names and Identifiers of 2-Amino-5-bromoisonicotinic acid
CAS Number |
1000339-23-0 |
|---|---|
EC Number |
855-481-7 |
MDL Number |
MFCD09878357 |
IUPAC Name |
2-amino-5-bromopyridine-4-carboxylic acid |
InChI |
InChI=1S/C6H5BrN2O2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H2,8,9)(H,10,11) |
InChIKey |
JJJKKHUIIDAXKW-UHFFFAOYSA-N |
Canonical SMILES |
C1=C(C(=CN=C1N)Br)C(=O)O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2-Amino-5-bromoisonicotinic acid
Acidity coefficient |
1.16±0.10(Predicted) |
|---|---|
Boiling Point |
464.1ºC at 760 mmHg |
Density |
1.909 |
Exact Mass |
215.95300 |
Flash Point |
234.5ºC |
LogP |
1.70570 |
Molecular Formula |
C6H5BrN2O2 |
Molecular Weight |
217.02000 |
PSA |
76.21000 |
Storage condition |
under inert gas (nitrogen or Argon) at 2–8 °C |
Safety Information of 2-Amino-5-bromoisonicotinic acid
Applications of 2-Amino-5-bromoisonicotinic acid
The applications of 2-amino-5-bromoisonicotinic acid are diverse:
- Pharmaceutical Intermediates: It serves as an intermediate in the synthesis of various pharmaceuticals due to its structural properties.
- Research Chemicals: Utilized in academic and industrial research settings to explore new drug formulations and biological activities.
- Agricultural Chemicals: Potentially used in developing agrochemicals targeting specific plant or pest interactions.
Interaction Studies of 2-Amino-5-bromoisonicotinic acid
Interaction studies involving 2-amino-5-bromoisonicotinic acid focus on its binding affinities with biological targets. These studies typically assess:
- Protein-Ligand Interactions: Investigating how this compound interacts with specific enzymes or receptors can provide insights into its mechanism of action.
- Molecular Docking Studies: Computational models can predict binding sites and affinities, guiding further experimental validation.
Cas:882499-87-8
