5-Bromoindole-3-carbonitrile - CAS 90271-86-6
Catalog: |
BB039803 |
Product Name: |
5-Bromoindole-3-carbonitrile |
CAS: |
90271-86-6 |
Synonyms: |
5-bromo-1H-indole-3-carbonitrile; 5-bromo-1H-indole-3-carbonitrile |
IUPAC Name: | 5-bromo-1H-indole-3-carbonitrile |
Description: | 5-Bromoindole-3-carbonitrile (CAS# 90271-86-6) is a useful research chemical. |
Molecular Weight: | 221.05 |
Molecular Formula: | C9H5BrN2 |
Canonical SMILES: | C1=CC2=C(C=C1Br)C(=CN2)C#N |
InChI: | InChI=1S/C9H5BrN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H |
InChI Key: | ZPUQCVKBNRGSAP-UHFFFAOYSA-N |
Boiling Point: | 405.9 ℃ at 760 mmHg |
Density: | 1.74 g/cm3 |
MDL: | MFCD04127133 |
LogP: | 2.80208 |
Publication Number | Title | Priority Date |
AU-2017307208-A1 | Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors | 20160730 |
CA-3031675-A1 | Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors | 20160730 |
EP-3490983-A1 | Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors | 20160730 |
JP-2019525941-A | Dimethoxyphenyl substituted indole compounds | 20160730 |
KR-20190034264-A | Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors | 20160730 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 39.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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