| CAS Number | 1227570-72-0 |
| Catalog Number | AG000JBD(AGN-PC-0WNONC) |
| Chemical Name | 4-Pyridinol, 2-bromo-5-methyl- |
| IUPAC Name | 2-bromo-5-methyl-1H-pyridin-4-one |
| InChI | InChI=1S/C6H6BrNO/c1-4-3-8-6(7)2-5(4)9/h2-3H,1H3,(H,8,9) |
| InChI Key | DKIFSEXUUUZXSX-UHFFFAOYSA-N |
| MDL Number | MFCD16610025 |
| Molecular Formula | C6H6BrNO |
| Molecular Weight | 188.0219 |
| SMILES | CC1=CN=C(Br)C=C1O |
| Synonyms | 2-bromo-5-methylpyridin-4-ol,
1227570-72-0,
2-Bromo-4-hydroxy-5-methylpyridine,
4-Pyridinol, 2-bromo-5-methyl-,
MFCD16610025,
ZINC59175032,
AKOS026728580,
NE52121,
4-(2,2-Diethoxyethyl)benzonitrile,
1797334-40-7,
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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
Lot Number