4-Hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylic acid - CAS 49713-47-5
Catalog: |
BB026800 |
Product Name: |
4-Hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylic acid |
CAS: |
49713-47-5 |
Synonyms: |
4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylic acid; 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylic acid |
IUPAC Name: | 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylic acid |
Description: | 4-Hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylic acid (CAS# 49713-47-5) is a useful research chemical. |
Molecular Weight: | 257.17 |
Molecular Formula: | C11H6F3NO3 |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=CN2)C(=O)O |
InChI: | InChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-8-6(3-5)9(16)7(4-15-8)10(17)18/h1-4H,(H,15,16)(H,17,18) |
InChI Key: | VUPSPASQZKLXMI-UHFFFAOYSA-N |
Boiling Point: | 358.3 °C at 760 mmHg |
Density: | 1.55 g/cm3 |
LogP: | 2.24510 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2012309758-A1 | Modulators of atp-binding cassette transporters | 20101210 |
US-8802700-B2 | Modulators of ATP-Binding Cassette transporters | 20101210 |
MX-2012006764-A | 4-OXO-1H -QUINOLIN-3- CARBOXAMIDS AS CONVEYOR MODULATORS OF THE UNION CASSETTE WITH ATP. | 20091211 |
JP-2011063516-A | Amide derivatives | 20090915 |
EP-2358721-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20081023 |
Complexity: | 416 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.02997754 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.02997754 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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