Cas no 371204-31-8 (4-Pyridinecarbonitrile,1,2-dihydro-3,5,6-trimethyl-2-oxo-)
371204-31-8 structure
Product Name:4-Pyridinecarbonitrile,1,2-dihydro-3,5,6-trimethyl-2-oxo-
CAS No:371204-31-8
MF:C9H10N2O
MW:162.188501834869
CID:297762
PubChem ID:45123380
Update Time:2025-04-19
4-Pyridinecarbonitrile,1,2-dihydro-3,5,6-trimethyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarbonitrile,1,2-dihydro-3,5,6-trimethyl-2-oxo-
- 371204-31-8
- 3,5,6-Trimethyl-2-oxo-1,2-dihydropyridine-4-carbonitrile
-
- Inchi： 1S/C9H10N2O/c1-5-7(3)11-9(12)6(2)8(5)4-10/h1-3H3,(H,11,12)
- InChI Key： PDEPTQSAVLVUSK-UHFFFAOYSA-N
- SMILES： O=C1C(C)=C(C#N)C(C)=C(C)N1
Computed Properties
- Exact Mass: 162.0794
- Monoisotopic Mass: 162.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 352
- 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: 0.3
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- PSA: 52.89
4-Pyridinecarbonitrile,1,2-dihydro-3,5,6-trimethyl-2-oxo- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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5. 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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