Cas no 306960-69-0 (5-Pyrimidinecarboxylicacid, 4-ethyl-1,2-dihydro-2-oxo-)
306960-69-0 structure
Product Name:5-Pyrimidinecarboxylicacid, 4-ethyl-1,2-dihydro-2-oxo-
CAS No:306960-69-0
MF:C7H3F5N2O3
MW:258.102339029312
CID:300313
PubChem ID:10706319
Update Time:2025-04-19
5-Pyrimidinecarboxylicacid, 4-ethyl-1,2-dihydro-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 4-ethyl-1,2-dihydro-2-oxo-
- 2-hydroxy-6-pentafluoroethyl-pyrimidine-5-carboxylic acid
- 6-Ethyl-2-oxo-1,2-dihydro-5-pyrimidinecarboxylic acid
- 2-hydroxy-4-pentafluoroethylpyrimidine-5-carboxylic acid
- 2-Hydroxy-4-(perfluoroethyl)pyrimidine-5-carboxylicacid
- 2-hydroxy-6-pentafluoroethyl-pyrimidine-5-carboxylicacid
- 306960-69-0
- 2-Hydroxy-4-(perfluoroethyl)pyrimidine-5-carboxylic acid
- SCHEMBL8398359
-
- Inchi： 1S/C7H3F5N2O3/c8-6(9,7(10,11)12)3-2(4(15)16)1-13-5(17)14-3/h1H,(H,15,16)(H,13,14,17)
- InChI Key： OQDBUJYJJDKBRP-UHFFFAOYSA-N
- SMILES： FC(C(F)(F)F)(C1=C(C(=O)O)C=NC(N1)=O)F
Computed Properties
- Exact Mass: 168.05354
- Monoisotopic Mass: 258.00638277g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 437
- 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: 0.6
- Topological Polar Surface Area: 78.8?2
Experimental Properties
- PSA: 78.76
5-Pyrimidinecarboxylicacid, 4-ethyl-1,2-dihydro-2-oxo- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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