6-(trifluoromethyl)quinoline-2-carbaldehyde - CAS 345895-60-5
Catalog: |
BB022190 |
Product Name: |
6-(trifluoromethyl)quinoline-2-carbaldehyde |
CAS: |
345895-60-5 |
Synonyms: |
6-(trifluoromethyl)-2-quinolinecarboxaldehyde; 6-(trifluoromethyl)quinoline-2-carbaldehyde |
IUPAC Name: | 6-(trifluoromethyl)quinoline-2-carbaldehyde |
Description: | 6-(trifluoromethyl)quinoline-2-carbaldehyde (CAS# 345895-60-5) is a useful research chemical compound. |
Molecular Weight: | 225.17 |
Molecular Formula: | C11H6F3NO |
Canonical SMILES: | C1=CC2=C(C=CC(=N2)C=O)C=C1C(F)(F)F |
InChI: | InChI=1S/C11H6F3NO/c12-11(13,14)8-2-4-10-7(5-8)1-3-9(6-16)15-10/h1-6H |
InChI Key: | ONQPPHKGJCWOEV-UHFFFAOYSA-N |
LogP: | 3.06610 |
Publication Number | Title | Priority Date |
AU-2012356885-A1 | Quinoline derivatives as PDE10A enzyme inhibitors | 20111221 |
AU-2012356885-B2 | Quinoline derivatives as PDE10A enzyme inhibitors | 20111221 |
CA-2859702-A1 | Quinoline derivatives as pde10a enzyme inhibitors | 20111221 |
EP-2794606-A1 | Quinoline derivatives as pde10a enzyme inhibitors | 20111221 |
JP-6073918-B2 | Quinoline derivatives as PDE10A enzyme inhibitors | 20111221 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.0401483 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.0401483 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Quinoline/Isoquinoline
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