| CAS Number | 70149-41-6 |
| Catalog Number | AG01E7M3(AGN-PC-0WCZ0I) |
| Chemical Name | 3-Bromo-5-methylpyridin-4(1H)-one |
| IUPAC Name | 3-bromo-5-methyl-1H-pyridin-4-one |
| InChI | InChI=1S/C6H6BrNO/c1-4-2-8-3-5(7)6(4)9/h2-3H,1H3,(H,8,9) |
| InChI Key | IWMFOFUFEYSHJW-UHFFFAOYSA-N |
| MDL Number | MFCD20673647 |
| Molecular Formula | C6H6BrNO |
| Molecular Weight | 188.0219 |
| SMILES | O=C1C(Br)=CNC=C1C |
| Synonyms | 3-Bromo-5-methylpyridin-4(1H)-one,
3-Bromo-5-methylpyridin-4-ol,
70149-41-6,
1822926-68-0,
3-bromo-5-methyl-1,4-dihydropyridin-4-one,
SCHEMBL17703506,
AKOS027355749,
AKOS030624654,
ZINC225413479,
Z2037273450,
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| 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 | 2 |
| 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 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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