Cas no 62458-83-7 (3-Pyridinecarboxamide, 4-chloro-N-(2,2,2-trifluoroethyl)-)
62458-83-7 structure
Product Name:3-Pyridinecarboxamide, 4-chloro-N-(2,2,2-trifluoroethyl)-
CAS No:62458-83-7
MF:C8H6ClF3N2O
MW:238.594251155853
CID:444037
PubChem ID:71386181
Update Time:2025-04-19
3-Pyridinecarboxamide, 4-chloro-N-(2,2,2-trifluoroethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxamide, 4-chloro-N-(2,2,2-trifluoroethyl)-
- 4-chloro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
- DTXSID70808378
- AKOS019796644
- 62458-83-7
-
- Inchi： 1S/C8H6ClF3N2O/c9-6-1-2-13-3-5(6)7(15)14-4-8(10,11)12/h1-3H,4H2,(H,14,15)
- InChI Key： OFXUBDKVOCYRDU-UHFFFAOYSA-N
- SMILES： ClC1C=CN=CC=1C(NCC(F)(F)F)=O
Computed Properties
- Exact Mass: 238.01218
- Monoisotopic Mass: 238.0120750g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 234
- 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
- XLogP3: 1.9
- Topological Polar Surface Area: 42?2
Experimental Properties
- PSA: 41.99
3-Pyridinecarboxamide, 4-chloro-N-(2,2,2-trifluoroethyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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