6-Chloroindole-5-carbonitrile - CAS 1423120-66-4
Catalog: |
BB009353 |
Product Name: |
6-Chloroindole-5-carbonitrile |
CAS: |
1423120-66-4 |
Synonyms: |
6-chloro-1H-indole-5-carbonitrile; 6-chloro-1H-indole-5-carbonitrile |
IUPAC Name: | 6-chloro-1H-indole-5-carbonitrile |
Description: | 6-Chloroindole-5-carbonitrile (CAS# 1423120-66-4) is a useful research chemical. |
Molecular Weight: | 176.60 |
Molecular Formula: | C9H5ClN2 |
Canonical SMILES: | C1=CNC2=C1C=C(C(=C2)Cl)C#N |
InChI: | InChI=1S/C9H5ClN2/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-4,12H |
InChI Key: | MRYYCCSCMQNXIG-UHFFFAOYSA-N |
LogP: | 2.69298 |
Publication Number | Title | Priority Date |
US-10604502-B2 | Substituted 5-cyanoindole compounds and uses thereof | 20170619 |
US-2019023684-A1 | Substituted 5-cyanoindole compounds and uses thereof | 20170619 |
CA-2844729-A1 | Serine/threonine pak1 inhibitors | 20110825 |
EP-2748159-A1 | Serine/threonine pak1 inhibitors | 20110825 |
JP-2014524456-A | Serine / threonine PAK1 inhibitor | 20110825 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.0141259 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.0141259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 39.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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