Cas no 1214332-43-0 (Methyl 5-fluoro-2-oxo-1,2-dihydropyridine-3-carboxylate)
1214332-43-0 structure
Product Name:Methyl 5-fluoro-2-oxo-1,2-dihydropyridine-3-carboxylate
CAS No:1214332-43-0
MF:C7H6FNO3
MW:171.125845432281
CID:4726726
Update Time:2023-08-16
Methyl 5-fluoro-2-oxo-1,2-dihydropyridine-3-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Methyl 5-fluoro-2-hydroxynicotinate
- Methyl 5-fluoro-2-oxo-1,2-dihydropyridine-3-carboxylate
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- Inchi: 1S/C7H6FNO3/c1-12-7(11)5-2-4(8)3-9-6(5)10/h2-3H,1H3,(H,9,10)
- InChI Key: HQKZCWTVJUJYQO-UHFFFAOYSA-N
- SMILES: FC1=CNC(C(C(=O)OC)=C1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 293
- Topological Polar Surface Area: 55.4
Methyl 5-fluoro-2-oxo-1,2-dihydropyridine-3-carboxylate 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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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