6-Fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid - CAS 869722-33-8
Catalog: |
BB038149 |
Product Name: |
6-Fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid |
CAS: |
869722-33-8 |
Synonyms: |
6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid |
IUPAC Name: | 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid |
Description: | 6-Fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (CAS# 869722-33-8) is a useful research chemical. |
Molecular Weight: | 209.17 |
Molecular Formula: | C10H8FNO3 |
Canonical SMILES: | C1C(C2=C(C=CC(=C2)F)NC1=O)C(=O)O |
InChI: | InChI=1S/C10H8FNO3/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-3,7H,4H2,(H,12,13)(H,14,15) |
InChI Key: | PXJPYWRFHOWZQA-UHFFFAOYSA-N |
Boiling Point: | 424.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.44 g/cm3 |
MDL: | MFCD05864577 |
LogP: | 1.47410 |
Publication Number | Title | Priority Date |
CA-3083938-A1 | Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases | 20171129 |
CN-111670034-A | Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases | 20171129 |
KR-20200106494-A | Pyranopyrazole and pyrazolopyridine immunomodulators for the treatment of autoimmune diseases | 20171129 |
US-2020369677-A1 | Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases | 20171129 |
JP-2021504490-A | Pyranopyrazole and pyrazolopyridine immunomodulators for the treatment of autoimmune diseases | 20171129 |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.04882128 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.04882128 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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