| CAS Number | 1909308-56-0 |
| Catalog Number | AG01C1U5 |
| Chemical Name | 5-Bromo-2-hydroxy-4-methylpyridine-3-carboxylic acid |
| IUPAC Name | 5-bromo-4-methyl-2-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6BrNO3/c1-3-4(8)2-9-6(10)5(3)7(11)12/h2H,1H3,(H,9,10)(H,11,12) |
| InChI Key | XWBBDMPPUISBGX-UHFFFAOYSA-N |
| MDL Number | MFCD29060283 |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.0314 |
| SMILES | BrC=1C(=C(C(=NC1)O)C(=O)O)C |
| Synonyms | 5-bromo-2-hydroxy-4-methylpyridine-3-carboxylic acid,
1909308-56-0,
SCHEMBL3448876,
AKOS033870140,
ZINC144067209,
Z2350903949,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.033g/mol |
| Monoisotopic Mass | 230.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number