2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile - CAS 3335-46-4
Catalog: |
BB021684 |
Product Name: |
2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile |
CAS: |
3335-46-4 |
Synonyms: |
2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile; 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile |
IUPAC Name: | 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile |
Description: | 2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile (CAS# 3335-46-4) is used as a reagent in the synthesis of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines which can be used as potential antitumor agents. |
Molecular Weight: | 204.11 |
Molecular Formula: | C7H3F3N2O2 |
Canonical SMILES: | C1=C(C(=C(NC1=O)O)C#N)C(F)(F)F |
InChI: | InChI=1S/C7H3F3N2O2/c8-7(9,10)4-1-5(13)12-6(14)3(4)2-11/h1H,(H2,12,13,14) |
InChI Key: | JRLZWXISQMMITA-UHFFFAOYSA-N |
Boiling Point: | 254.8 °C at 760 mmHg |
Density: | 1.63 g/cm3 |
MDL: | MFCD06200911 |
LogP: | 1.38328 |
Publication Number | Title | Priority Date |
CN-109232407-A | A kind of preparation method and equipment of 4- trifluoromethyl nicotinic acid | 20180925 |
CN-108530352-A | A kind of synthetic method of 2,6- dichlor-4-trifluoromethyls niacinamide | 20180607 |
CN-108822028-A | A kind of Novel tobacco nitrile compound and its application | 20180606 |
CN-108325556-A | A kind of synthetic method of intermediate 2,6- dihydroxy -3- cyano -4- trifluoromethyl pyridines | 20180512 |
CN-108558749-A | It is a kind of synthesis 2,6- dihydroxy -3- cyano -4- trifluoromethyl pyridines catalyst and its application | 20180512 |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.01466183 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.01466183 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 73.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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