5-Bromo-7-fluoroquinoline-8-carbonitrile - CAS 2181780-00-5
Catalog: |
BB017159 |
Product Name: |
5-Bromo-7-fluoroquinoline-8-carbonitrile |
CAS: |
2181780-00-5 |
Synonyms: |
5-bromo-7-fluoro-8-quinolinecarbonitrile; 5-bromo-7-fluoroquinoline-8-carbonitrile |
IUPAC Name: | 5-bromo-7-fluoroquinoline-8-carbonitrile |
Description: | 5-Bromo-7-fluoroquinoline-8-carbonitrile (CAS# 2181780-00-5 ) is a useful research chemical. |
Molecular Weight: | 251.05 |
Molecular Formula: | C10H4BrFN2 |
Canonical SMILES: | C1=CC2=C(C=C(C(=C2N=C1)C#N)F)Br |
InChI: | InChI=1S/C10H4BrFN2/c11-8-4-9(12)7(5-13)10-6(8)2-1-3-14-10/h1-4H |
InChI Key: | PHTGVPZHTBCDGK-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2020025517-A1 | Tlr7/8 antagonists and uses thereof | 20180731 |
TW-202019899-A | TLR7/8 antagonists and their uses | 20180731 |
CN-112513024-A | TLR7/8 antagonists and uses thereof | 20180731 |
KR-20210040085-A | TLR7/8 antagonist and uses thereof | 20180731 |
EP-3830080-A1 | Tlr7/8 antagonists and uses thereof | 20180731 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.95419 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.95419 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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