6-(Trifluoromethyl)quinoline-4-carbaldehyde - CAS 482587-03-1
Catalog: |
BB026514 |
Product Name: |
6-(Trifluoromethyl)quinoline-4-carbaldehyde |
CAS: |
482587-03-1 |
Synonyms: |
6-(trifluoromethyl)-4-quinolinecarboxaldehyde; 6-(trifluoromethyl)quinoline-4-carbaldehyde |
IUPAC Name: | 6-(trifluoromethyl)quinoline-4-carbaldehyde |
Description: | 6-(Trifluoromethyl)quinoline-4-carbaldehyde (CAS# 482587-03-1) is a useful research chemical compound. |
Molecular Weight: | 225.17 |
Molecular Formula: | C11H6F3NO |
Canonical SMILES: | C1=CC2=NC=CC(=C2C=C1C(F)(F)F)C=O |
InChI: | InChI=1S/C11H6F3NO/c12-11(13,14)8-1-2-10-9(5-8)7(6-16)3-4-15-10/h1-6H |
InChI Key: | GTVSBBRLWRMXLF-UHFFFAOYSA-N |
LogP: | 3.06610 |
Publication Number | Title | Priority Date |
EP-1412355-A1 | New pyrazolo(3,4-d)pyrimidines inhibiting h. pylori infections | 20010628 |
JP-2004521944-A | H. Novel pyrazolo [3,4-D] pyrimidines inhibiting PYLORI infection | 20010628 |
US-2004254183-A1 | Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections | 20010628 |
US-7285558-B2 | Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections | 20010628 |
WO-03002567-A1 | New pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections | 20010628 |
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: | 2.5 |
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