5-Bromo-2-hydroxy-6-methyl-3-nitropyridine - CAS 186413-74-1
Catalog: |
BB014319 |
Product Name: |
5-Bromo-2-hydroxy-6-methyl-3-nitropyridine |
CAS: |
186413-74-1 |
Synonyms: |
5-bromo-6-methyl-3-nitro-1H-pyridin-2-one; 5-bromo-6-methyl-3-nitro-1H-pyridin-2-one |
IUPAC Name: | 5-bromo-6-methyl-3-nitro-1H-pyridin-2-one |
Description: | 5-Bromo-2-hydroxy-6-methyl-3-nitropyridine (CAS# 186413-74-1) is a useful research chemical. |
Molecular Weight: | 233.02 |
Molecular Formula: | C6H5BrN2O3 |
Canonical SMILES: | CC1=C(C=C(C(=O)N1)[N+](=O)[O-])Br |
InChI: | InChI=1S/C6H5BrN2O3/c1-3-4(7)2-5(9(11)12)6(10)8-3/h2H,1H3,(H,8,10) |
InChI Key: | OEBQKJOFOWLDME-UHFFFAOYSA-N |
LogP: | 2.28950 |
Publication Number | Title | Priority Date |
WO-2020108579-A1 | Amino-substituted pyridone derivative, preparation method therefor, and pharmaceutical use thereof | 20181128 |
CN-111712490-A | Amino-substituted pyridone derivatives, preparation method and medical application thereof | 20181128 |
AU-2014282769-A1 | Substituted heterocyclic compounds as CRAC modulators | 20130621 |
CA-2914132-A1 | Substituted heterocyclic compounds as crac modulators | 20130621 |
EP-3010586-A1 | Substituted heterocyclic compounds as crac modulators | 20130621 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.94835 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.94835 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Pyridines
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