2,5,6-Trifluoronicotinonitrile - CAS 870065-73-9
Catalog: |
BB038172 |
Product Name: |
2,5,6-Trifluoronicotinonitrile |
CAS: |
870065-73-9 |
Synonyms: |
2,5,6-trifluoro-3-pyridinecarbonitrile; 2,5,6-trifluoropyridine-3-carbonitrile |
IUPAC Name: | 2,5,6-trifluoropyridine-3-carbonitrile |
Description: | A pyridine derivative used in the preparation of JAK2 kinase inhibtors. |
Molecular Weight: | 158.08 |
Molecular Formula: | C6HF3N2 |
Canonical SMILES: | C1=C(C(=NC(=C1F)F)F)C#N |
InChI: | InChI=1S/C6HF3N2/c7-4-1-3(2-10)5(8)11-6(4)9/h1H |
InChI Key: | SSRFMDDZODUAJG-UHFFFAOYSA-N |
Boiling Point: | 205.619 ℃ at 760 mmHg |
Density: | 1.47 g/cm3 |
MDL: | MFCD04973023 |
LogP: | 1.37058 |
Publication Number | Title | Priority Date |
CN-111244543-A | High-voltage lithium ion battery electrolyte additive, electrolyte, battery and formation method thereof | 20200115 |
CA-3080276-A1 | Herbicidal pyridylethers | 20171123 |
WO-2019101513-A1 | Herbicidal pyridylethers | 20171123 |
CN-111356684-A | Herbicidal pyridyl ethers | 20171123 |
US-2020392103-A1 | Herbicidal pyridylethers | 20171123 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.00918253 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.00918253 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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