| CAS Number | 1142188-70-2 |
| Catalog Number | AG01ABKV(AGN-PC-0WO30V) |
| Chemical Name | 5-Bromo-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile |
| IUPAC Name | 5-bromo-1,4-dimethyl-2-oxopyridine-3-carbonitrile |
| InChI | InChI=1S/C8H7BrN2O/c1-5-6(3-10)8(12)11(2)4-7(5)9/h4H,1-2H3 |
| InChI Key | PQGMANSHKBMPCI-UHFFFAOYSA-N |
| MDL Number | MFCD11869815 |
| Molecular Formula | C8H7BrN2O |
| Molecular Weight | 227.0580 |
| SMILES | CC1=C(C#N)C(=O)N(C)C=C1Br |
| Synonyms | 5-bromo-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile,
1142188-70-2,
SCHEMBL20709909,
ZINC31776925,
AKOS026727065,
FCH1407381,
NE38073,
EN300-135481,
5-BROMO-3-CYANO-1,4-DIMETHYL-2-PYRIDONE,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.061g/mol |
| Monoisotopic Mass | 225.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number