| CAS Number | 1630763-38-0 |
| Catalog Number | AG018S7A(AGN-PC-0WBQ1Y) |
| Chemical Name | 5-Bromo-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H8BrNO3/c1-4-6(9)3-5(8(12)13)7(11)10(4)2/h3H,1-2H3,(H,12,13) |
| InChI Key | IFPREJFNUSQNLP-UHFFFAOYSA-N |
| MDL Number | MFCD28064059 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | BrC=1C=C(C(N(C1C)C)=O)C(=O)O |
| Synonyms | 5-bromo-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
1630763-38-0,
BBL035169,
STL425833,
ZINC98095655,
AKOS025148527,
F8888-3580,
Z2335632234,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.06g/mol |
| Monoisotopic Mass | 244.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number