| CAS Number | 1227578-99-5 |
| Catalog Number | AG000JBQ(AGN-PC-0WNH4T) |
| Chemical Name | 2(1H)-Pyridinone, 4-bromo-3-methyl- |
| IUPAC Name | 4-bromo-3-methyl-1H-pyridin-2-one |
| InChI | InChI=1S/C6H6BrNO/c1-4-5(7)2-3-8-6(4)9/h2-3H,1H3,(H,8,9) |
| InChI Key | NOOOVNDZIYQCSX-UHFFFAOYSA-N |
| MDL Number | MFCD29989604 |
| Molecular Formula | C6H6BrNO |
| Molecular Weight | 188.0219 |
| SMILES | BrC1=C(C(NC=C1)=O)C |
| Synonyms | 1227578-99-5,
4-bromo-3-methyl-1,2-dihydropyridin-2-one,
4-Bromo-3-methylpyridin-2-ol,
4-Bromo-3-methylpyridin-2(1H)-one,
SCHEMBL15059285,
KS-000008IH,
4-Bromo-2-hydroxy-3-methylpyridine,
MFCD16610028,
ZINC88189827,
4-bromo-3-methyl-1H-pyridin-2-one,
SB21295,
2(1H)-Pyridinone, 4-bromo-3-methyl-,
AS-53972,
CS-0050987,
N/A,
|
| 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 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number