Cas no 223444-91-5 (2-Pyridinecarboxamide,N-(1,1-dimethylethyl)-3-fluoro-)
223444-91-5 structure
Product Name:2-Pyridinecarboxamide,N-(1,1-dimethylethyl)-3-fluoro-
CAS No:223444-91-5
MF:C10H13FN2O
MW:196.221425771713
CID:244529
Update Time:2024-01-26
2-Pyridinecarboxamide,N-(1,1-dimethylethyl)-3-fluoro- Chemical and Physical Properties
Names and Identifiers
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- 2-Pyridinecarboxamide,N-(1,1-dimethylethyl)-3-fluoro-
- 2-Pyridinecarboxamide,N-(1,1-dimethylethyl)-3-fluoro-(9CI)
- 2-Pyridinecarboxamide, N-(1,1-dimethylethyl)-3-fluoro-
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- Inchi： 1S/C10H13FN2O/c1-10(2,3)13-9(14)8-7(11)5-4-6-12-8/h4-6H,1-3H3,(H,13,14)
- InChI Key： WFNBPGFQKKMCDU-UHFFFAOYSA-N
- SMILES： C1(C(NC(C)(C)C)=O)=NC=CC=C1F
Computed Properties
- Exact Mass: 196.10129
- Monoisotopic Mass: 196.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 213
- 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: 42A^2
Experimental Properties
- PSA: 41.99
2-Pyridinecarboxamide,N-(1,1-dimethylethyl)-3-fluoro- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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