Cas no 1433-76-7 (3-Pyridinecarboxylic acid, 2-ethyl-1,6-dihydro-4-hydroxy-6-oxo-, ethylester)
1433-76-7 structure
Product Name:3-Pyridinecarboxylic acid, 2-ethyl-1,6-dihydro-4-hydroxy-6-oxo-, ethylester
CAS No:1433-76-7
MF:C10H13NO4
MW:211.214523077011
CID:1313304
PubChem ID:54697839
Update Time:2025-04-20
3-Pyridinecarboxylic acid, 2-ethyl-1,6-dihydro-4-hydroxy-6-oxo-, ethylester Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarboxylic acid, 2-ethyl-1,6-dihydro-4-hydroxy-6-oxo-, ethylester
- 2-Ethyl-1,6-dihydro-4-hydroxy-6-(oxo)nicotinic acid ethyl ester
- CGIKUACJQQBMRL-UHFFFAOYSA-N
- Ethyl 2-ethyl-4,6-dihydroxynicotinate #
- Nicotinic acid, 2-ethyl-1,6-dihydro-4-hydroxy-6-oxo-, ethyl ester
- 3-pyridinecarboxylic acid,2-ethyl-1,6-dihydro-4-hydroxy-6-oxo-,ethyl ester
- ethyl 2-ethyl-6-hydroxy-4-oxo-1H-pyridine-3-carboxylate
- ethyl 2-ethyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
- 1433-76-7
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- Inchi： 1S/C10H13NO4/c1-3-6-9(10(14)15-4-2)7(12)5-8(13)11-6/h5H,3-4H2,1-2H3,(H2,11,12,13)
- InChI Key： CGIKUACJQQBMRL-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(=CC(NC=1CC)=O)O)=O
Computed Properties
- Exact Mass: 211.08445790g/mol
- Monoisotopic Mass: 211.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 354
- 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: 0.9
- Topological Polar Surface Area: 75.6?2
3-Pyridinecarboxylic acid, 2-ethyl-1,6-dihydro-4-hydroxy-6-oxo-, ethylester Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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