| CAS Number | 71001-57-5 |
| Catalog Number | AG00IC4G(AGN-PC-0WG437) |
| Chemical Name | 5-Bromo-3-methoxy-2-methylpyridin-4-ol |
| IUPAC Name | 5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one |
| InChI | InChI=1S/C7H8BrNO2/c1-4-7(11-2)6(10)5(8)3-9-4/h3H,1-2H3,(H,9,10) |
| InChI Key | GWVMUNNIFCHAQV-UHFFFAOYSA-N |
| MDL Number | MFCD28531444 |
| Molecular Formula | C7H8BrNO2 |
| Molecular Weight | 218.0479 |
| SMILES | COC1=C(O)C(Br)=CN=C1C |
| Synonyms | 5-Bromo-3-methoxy-2-methylpyridin-4-ol,
71001-57-5,
SCHEMBL4742034,
MFCD28531444,
ZINC135873260,
5-bromo-3-methoxy-2-methyl-4-pyridone,
CS-0038505,
5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one,
5-bromo-3-methoxy-2-methyl-4(1H)-pyridinone,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.05g/mol |
| Monoisotopic Mass | 216.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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