| CAS Number | 1227578-85-9 |
| Catalog Number | AG00IMQ8(AGN-PC-0WG35O) |
| Chemical Name | 4-Bromo-5-methylpyridin-2(1H)-one |
| IUPAC Name | 4-bromo-5-methyl-1H-pyridin-2-one |
| InChI | InChI=1S/C6H6BrNO/c1-4-3-8-6(9)2-5(4)7/h2-3H,1H3,(H,8,9) |
| InChI Key | UDZAXCAFAWNUAN-UHFFFAOYSA-N |
| MDL Number | MFCD16610029 |
| Molecular Formula | C6H6BrNO |
| Molecular Weight | 188.0219 |
| SMILES | O=C1C=C(Br)C(C)=CN1 |
| Synonyms | 4-Bromo-5-methylpyridin-2(1H)-one,
1227578-85-9,
4-Bromo-2-hydroxy-5-methylpyridine,
2(1H)-Pyridinone, 4-bromo-5-methyl-,
SCHEMBL13727704,
SCHEMBL16225157,
AKOS015942975,
SB16188,
AK322390,
DS-12019,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.024g/mol |
| Monoisotopic Mass | 186.963g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number