| CAS Number | 1334499-25-0 |
| Catalog Number | AG01E7L2 |
| Chemical Name | Methyl 5-bromo-6-hydroxy-2-methylpyridine-3-carboxylate |
| IUPAC Name | methyl 5-bromo-2-methyl-6-oxo-1H-pyridine-3-carboxylate |
| InChI | InChI=1S/C8H8BrNO3/c1-4-5(8(12)13-2)3-6(9)7(11)10-4/h3H,1-2H3,(H,10,11) |
| InChI Key | LGHZFYHTOKBMHV-UHFFFAOYSA-N |
| MDL Number | MFCD20232419 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | BrC1=CC(=C(NC1=O)C)C(=O)OC |
| Synonyms | 1334499-25-0,
methyl 5-bromo-6-hydroxy-2-methylpyridine-3-carboxylate,
Methyl 5-bromo-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate,
ZINC72207592,
AKOS027326805,
Z2065788337,
|
| Complexity | 330 |
| 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 | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number