| CAS Number | 1630763-65-3 |
| Catalog Number | AG01BFQN(AGN-PC-0WOUUG) |
| Chemical Name | 1-amino-5-bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile |
| IUPAC Name | 1-amino-5-bromo-4,6-dimethyl-2-oxopyridine-3-carbonitrile |
| InChI | InChI=1S/C8H8BrN3O/c1-4-6(3-10)8(13)12(11)5(2)7(4)9/h11H2,1-2H3 |
| InChI Key | PALFUEIFGWFPDW-UHFFFAOYSA-N |
| MDL Number | MFCD28097874 |
| Molecular Formula | C8H8BrN3O |
| Molecular Weight | 242.0726 |
| SMILES | CC1=C(C#N)C(=O)N(N)C(C)=C1Br |
| Synonyms | 1-amino-5-bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile,
1630763-65-3,
BB_SC-11729,
BBL035170,
STL426114,
ZINC98209876,
AKOS024255946,
FCH2520186,
EN300-188069,
1-amino-5-bromo-4,6-dimethyl-2-oxopyridine-3-carbonitrile,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.076g/mol |
| Monoisotopic Mass | 240.985g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number