Cas no 161123-95-1 (5-Pyrimidinecarboxaldehyde,2-fluoro-1,6-dihydro-6-oxo-)
161123-95-1 structure
Product Name:5-Pyrimidinecarboxaldehyde,2-fluoro-1,6-dihydro-6-oxo-
CAS No:161123-95-1
MF:C5H3FN2O2
MW:142.08792424202
CID:109682
PubChem ID:10261192
Update Time:2025-04-18
5-Pyrimidinecarboxaldehyde,2-fluoro-1,6-dihydro-6-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxaldehyde,2-fluoro-1,6-dihydro-6-oxo-
- 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde
- 5-Pyrimidinecarboxaldehyde, 2-fluoro-1,4-dihydro-4-oxo- (9CI)
- 161123-95-1
- 2-Fluoro-6-oxo-1,6-dihydropyrimidine-5-carbaldehyde
-
- Inchi： 1S/C5H3FN2O2/c6-5-7-1-3(2-9)4(10)8-5/h1-2H,(H,7,8,10)
- InChI Key： GVSKNEUJYYLNKS-UHFFFAOYSA-N
- SMILES： FC1=NC=C(C=O)C(N1)=O
Computed Properties
- Exact Mass: 142.01789
- Monoisotopic Mass: 142.01785550g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 244
- 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: -0.5
- Topological Polar Surface Area: 58.5?2
Experimental Properties
- PSA: 58.53
5-Pyrimidinecarboxaldehyde,2-fluoro-1,6-dihydro-6-oxo- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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