2-Bromo-5-fluoropyridine 1-Oxide - CAS 935534-39-7
Catalog: |
BB040966 |
Product Name: |
2-Bromo-5-fluoropyridine 1-Oxide |
CAS: |
935534-39-7 |
Synonyms: |
2-bromo-5-fluoro-1-oxidopyridin-1-ium; 2-bromo-5-fluoro-1-oxidopyridin-1-ium |
IUPAC Name: | 2-bromo-5-fluoro-1-oxidopyridin-1-ium |
Description: | 2-Bromo-5-fluoropyridine 1-Oxide (CAS# 935534-39-7) is a useful research chemical. |
Molecular Weight: | 191.99 |
Molecular Formula: | C5H3BrFNO |
Canonical SMILES: | C1=CC(=[N+](C=C1F)[O-])Br |
InChI: | InChI=1S/C5H3BrFNO/c6-5-2-1-4(7)3-8(5)9/h1-3H |
InChI Key: | RDZPKTQDXLFGTQ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.01670 |
Publication Number | Title | Priority Date |
WO-2020132566-A1 | Sting pyrazole agonists and uses thereof | 20181221 |
WO-2019158107-A1 | Heterocyclic compound, application thereof and pharmaceutical composition comprising same | 20180214 |
AU-2019220064-A1 | Heterocyclic compound, application thereof and pharmaceutical composition comprising same | 20180214 |
CN-110156772-B | Heterocyclic compound, application thereof and pharmaceutical composition containing same | 20180214 |
CN-111620864-A | Heterocyclic compound, application thereof and pharmaceutical composition containing same | 20180214 |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.9382 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.9382 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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