5-Bromo-3-methylpyrazin-2-ol - CAS 100047-56-1
Catalog: |
BB000034 |
Product Name: |
5-Bromo-3-methylpyrazin-2-ol |
CAS: |
100047-56-1 |
Synonyms: |
5-bromo-3-methyl-1H-pyrazin-2-one; 5-bromo-3-methyl-1H-pyrazin-2-one |
IUPAC Name: | 5-bromo-3-methyl-1H-pyrazin-2-one |
Description: | 5-Bromo-3-methylpyrazin-2-ol (CAS# 100047-56-1 ) is a useful research chemical. |
Molecular Weight: | 189.01 |
Molecular Formula: | C5H5BrN2O |
Canonical SMILES: | CC1=NC(=CNC1=O)Br |
InChI: | InChI=1S/C5H5BrN2O/c1-3-5(9)7-2-4(6)8-3/h2H,1H3,(H,7,9) |
InChI Key: | RNHAEGVBHQSLFS-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 0.84080 |
Publication Number | Title | Priority Date |
WO-2020147739-A1 | Lysophosphatidic acid receptor antagonists and preparation method therefor | 20190115 |
CN-112771027-A | Lysophosphatidic acid receptor antagonists and process for their preparation | 20190115 |
CA-2983674-A1 | Heterocyclic compounds and their use in preventing or treating bacterial infections | 20150507 |
JP-2014118368-A | A hypoglycemic agent containing an azaspiroalkane compound as an active ingredient | 20121214 |
WO-2013055910-A1 | Modulators of the gpr119 receptor and the treatment of disorders related thereto | 20111012 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.95853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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