| CAS Number | 141703-16-4 |
| Catalog Number | AG01A05M(AGN-PC-0O292V) |
| Chemical Name | 5-bromo-4-hydroxy-6-methylpyridine-3-carboxylic acid |
| IUPAC Name | 5-bromo-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6BrNO3/c1-3-5(8)6(10)4(2-9-3)7(11)12/h2H,1H3,(H,9,10)(H,11,12) |
| InChI Key | AFOTZKWPHPDPAH-UHFFFAOYSA-N |
| MDL Number | MFCD18258549 |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.0314 |
| SMILES | CC1=C(Br)C(O)=C(C(O)=O)C=N1 |
| Synonyms | 5-bromo-4-hydroxy-6-methylnicotinic acid,
5-bromo-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid,
141703-16-4,
86788-98-9,
5-bromo-4-hydroxy-6-methylpyridine-3-carboxylic acid,
SCHEMBL2186263,
AFOTZKWPHPDPAH-UHFFFAOYSA-N,
ZINC26506728,
AKOS017557255,
AKOS023410236,
MCULE-7801814115,
NE40125,
DA-02271,
FT-0704482,
Z1431002728,
3-bromo-1,4-dihydro-2-methyl-4-oxo-5-pyridinecarboxylic acid,
5-Bromo-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid,
|
| 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 | 4 |
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number