Cas no 137641-20-4 (2-Pyridinecarboxamide,N-(2-fluoro-5-nitrophenyl)-6-[3-(trifluoromethyl)phenoxy]-)
![2-Pyridinecarboxamide,N-(2-fluoro-5-nitrophenyl)-6-[3-(trifluoromethyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/138000/137641-20-4x500.png)
137641-20-4 structure
Product Name:2-Pyridinecarboxamide,N-(2-fluoro-5-nitrophenyl)-6-[3-(trifluoromethyl)phenoxy]-
CAS No:137641-20-4
MF:C19H11F4N3O4
MW:421.301958322525
CID:1245395
PubChem ID:76851137
Update Time:2025-04-20
2-Pyridinecarboxamide,N-(2-fluoro-5-nitrophenyl)-6-[3-(trifluoromethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxamide,N-(2-fluoro-5-nitrophenyl)-6-[3-(trifluoromethyl)phenoxy]-
- 137641-20-4
-
- Inchi： 1S/C19H11F4N3O4/c20-14-8-7-12(26(28)29)10-16(14)25-18(27)15-5-2-6-17(24-15)30-13-4-1-3-11(9-13)19(21,22)23/h1-10H,(H,25,27)
- InChI Key： DXVRHAFLKIUKFT-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C=C1NC(C1C=CC=C(N=1)OC1=CC=CC(C(F)(F)F)=C1)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 421.06863
- Monoisotopic Mass: 421.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 616
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 97A^2
- XLogP3: 4.7
Experimental Properties
- PSA: 94.36
2-Pyridinecarboxamide,N-(2-fluoro-5-nitrophenyl)-6-[3-(trifluoromethyl)phenoxy]- Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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