8-Bromoquinoxaline-5-carbonitrile - CAS 2101944-52-7
Catalog: |
BB016544 |
Product Name: |
8-Bromoquinoxaline-5-carbonitrile |
CAS: |
2101944-52-7 |
Synonyms: |
8-bromo-5-quinoxalinecarbonitrile; 8-bromoquinoxaline-5-carbonitrile |
IUPAC Name: | 8-bromoquinoxaline-5-carbonitrile |
Description: | 8-Bromoquinoxaline-5-carbonitrile (CAS# 2101944-52-7 ) is a useful research chemical. |
Molecular Weight: | 234.05 |
Molecular Formula: | C9H4BrN3 |
Canonical SMILES: | C1=CC(=C2C(=C1C#N)N=CC=N2)Br |
InChI: | InChI=1S/C9H4BrN3/c10-7-2-1-6(5-11)8-9(7)13-4-3-12-8/h1-4H |
InChI Key: | NHARUSVUHYFDBB-UHFFFAOYSA-N |
LogP: | 2.26398 |
Publication Number | Title | Priority Date |
WO-2021052892-A1 | Piperidinyl amine compounds for the treatment of autoimmune disease | 20190916 |
WO-2020094749-A1 | 5-[6-[[3-(4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile derivatives and similar compounds as tlr7-9 antagonists for treating systemic lupus erythematosus | 20181109 |
EP-3877388-A1 | 5-[6-[[3-(4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile derivatives and similar compounds as tlr7-9 antagonists for treating systemic lupus erythematosus | 20181109 |
US-2021300924-A1 | 5-[6-[[3-(4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile derivatives and similar compounds as tlr7-9 antagonists for treating systemic lupus erythematosus | 20181109 |
WO-2020064792-A1 | Heterocyclyl compounds for the treatment of autoimmune disease | 20180927 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.95886 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.95886 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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