2-Chloro-5,7-dimethylquinoline-3-carbonitrile - CAS 917747-10-5
Catalog: |
BB040344 |
Product Name: |
2-Chloro-5,7-dimethylquinoline-3-carbonitrile |
CAS: |
917747-10-5 |
Synonyms: |
2-chloro-5,7-dimethylquinoline-3-carbonitrile |
IUPAC Name: | 2-chloro-5,7-dimethylquinoline-3-carbonitrile |
Description: | 2-Chloro-5,7-dimethylquinoline-3-carbonitrile (CAS# 917747-10-5) is a useful research chemical. |
Molecular Weight: | 216.67 |
Molecular Formula: | C12H9ClN2 |
Canonical SMILES: | CC1=CC(=C2C=C(C(=NC2=C1)Cl)C#N)C |
InChI: | InChI=1S/C12H9ClN2/c1-7-3-8(2)10-5-9(6-14)12(13)15-11(10)4-7/h3-5H,1-2H3 |
InChI Key: | GPSMXYFOSPFFEJ-UHFFFAOYSA-N |
Boiling Point: | 386.311 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.273 g/cm3 |
MDL: | MFCD08899072 |
LogP: | 3.37668 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2754237-A1 | Cyanoquinoline compounds having activity in correcting mutant-cftr processing and increasing ion transport and uses thereof | 20110527 |
US-2014296215-A1 | Cyanoquinoline Compounds Having Activity in Correcting Mutant-Cftr Processing and Increasing Ion Transport and Uses Thereof | 20110527 |
US-9073863-B2 | Cyanoquinoline compounds having activity in correcting mutant-CFTR processing and increasing ion transport and uses thereof | 20110527 |
WO-2012166654-A1 | Cyanoquinoline compounds having activity in correcting mutant-cftr processing and increasing ion transport and uses thereof | 20110527 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.045426 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.045426 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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Quinoline/Isoquinoline
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