5-Fluoro-2-methylpyridine 1-Oxide - CAS 45673-79-8
Catalog: |
BB025964 |
Product Name: |
5-Fluoro-2-methylpyridine 1-Oxide |
CAS: |
45673-79-8 |
Synonyms: |
5-fluoro-2-methyl-1-oxidopyridin-1-ium; 5-fluoro-2-methyl-1-oxidopyridin-1-ium |
IUPAC Name: | 5-fluoro-2-methyl-1-oxidopyridin-1-ium |
Description: | 5-Fluoro-2-methylpyridine 1-Oxide (CAS# 45673-79-8 ) is a useful research chemical. |
Molecular Weight: | 127.12 |
Molecular Formula: | C6H6FNO |
Canonical SMILES: | CC1=[N+](C=C(C=C1)F)[O-] |
InChI: | InChI=1S/C6H6FNO/c1-5-2-3-6(7)4-8(5)9/h2-4H,1H3 |
InChI Key: | RIUFOUJMGXWZCJ-UHFFFAOYSA-N |
LogP: | 1.56260 |
Publication Number | Title | Priority Date |
WO-2020221811-A1 | Novel oxalyl piperazines active against the hepatitis b virus (hbv) | 20190430 |
WO-2020221824-A1 | Novel indolizine-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
TW-202003513-A | Inhibitors of plasma kallikrein and uses thereof | 20180313 |
US-2019284182-A1 | Inhibitors of plasma kallikrein and uses thereof | 20180313 |
WO-2019178129-A1 | Substituted imidazopyridines as inhibitors of plasma kallikrein and uses thereof | 20180313 |
Complexity: | 99.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.043341977 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.043341977 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Pyridines
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