4-Hydroxy-2-methyl-6-trifluoromethylquinoline - CAS 949507-76-0
Catalog: |
BB041588 |
Product Name: |
4-Hydroxy-2-methyl-6-trifluoromethylquinoline |
CAS: |
949507-76-0 |
Synonyms: |
2-methyl-6-(trifluoromethyl)-1H-quinolin-4-one |
IUPAC Name: | 2-methyl-6-(trifluoromethyl)-1H-quinolin-4-one |
Description: | 4-Hydroxy-2-methyl-6-trifluoromethylquinoline (CAS# 949507-76-0) is a useful research chemical. |
Molecular Weight: | 227.18 |
Molecular Formula: | C11H8F3NO |
Canonical SMILES: | CC1=CC(=O)C2=C(N1)C=CC(=C2)C(F)(F)F |
InChI: | InChI=1S/C11H8F3NO/c1-6-4-10(16)8-5-7(11(12,13)14)2-3-9(8)15-6/h2-5H,1H3,(H,15,16) |
InChI Key: | JIIFTTKKMVJRLB-UHFFFAOYSA-N |
LogP: | 3.26760 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3394032-A1 | Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases | 20151221 |
WO-2017112678-A1 | Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases | 20151221 |
US-2020283391-A1 | Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases | 20151221 |
EP-1748987-A2 | 2-propene-1-ones as hsp 70 inducers | 20040412 |
US-2008207608-A1 | 2-Propene-1-Ones As Hsp 70 Inducers | 20040412 |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.05579836 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.05579836 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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