Ethyl 2,4-Dihydroxy-6-(trifluoromethyl)nicotinate - CAS 947144-28-7
Catalog: |
BB041465 |
Product Name: |
Ethyl 2,4-Dihydroxy-6-(trifluoromethyl)nicotinate |
CAS: |
947144-28-7 |
Synonyms: |
4-hydroxy-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid ethyl ester; ethyl 4-hydroxy-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate |
IUPAC Name: | ethyl 4-hydroxy-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate |
Description: | Ethyl 2,4-Dihydroxy-6-(trifluoromethyl)nicotinate (CAS# 947144-28-7) is a useful research chemical. |
Molecular Weight: | 251.16 |
Molecular Formula: | C9H8F3NO4 |
Canonical SMILES: | CCOC(=O)C1=C(C=C(NC1=O)C(F)(F)F)O |
InChI: | InChI=1S/C9H8F3NO4/c1-2-17-8(16)6-4(14)3-5(9(10,11)12)13-7(6)15/h3H,2H2,1H3,(H2,13,14,15) |
InChI Key: | NFLFXWQKMVHMAR-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 ℃ |
LogP: | 1.68830 |
Publication Number | Title | Priority Date |
WO-2021080330-A1 | Nicotinamide compound and herbicidal composition comprising compound | 20191021 |
KR-20210047264-A | Nicotinamide Compounds and Herbicide Composition Comprising the Same | 20191021 |
WO-2013072882-A1 | 2 -amino- 1, 8 -naphthyridine-3 -carboxamide derivatives as antimicrobial agents | 20111118 |
EP-2101741-A2 | Solid dispersion comprising a poorly water soluble drug | 20061017 |
EP-2101741-B1 | Solid dispersion comprising a poorly water soluble drug | 20061017 |
Complexity: | 422 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.04054222 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.04054222 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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