Cas no 62617-48-5 (3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(phenylamino)-)
62617-48-5 structure
Product Name:3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(phenylamino)-
CAS No:62617-48-5
MF:C13H11N3O
MW:225.245942354202
CID:437945
PubChem ID:14148537
Update Time:2025-04-19
3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(phenylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(phenylamino)-
- 4-anilino-1-methyl-2-oxopyridine-3-carbonitrile
- 4-Anilino-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- DTXSID00556618
- 4-anilino-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
- 62617-48-5
-
- Inchi： 1S/C13H11N3O/c1-16-8-7-12(11(9-14)13(16)17)15-10-5-3-2-4-6-10/h2-8,15H,1H3
- InChI Key： NOAFMVRDWHHFBQ-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)=C(C=CN1C)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 225.09033
- Monoisotopic Mass: 225.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 421
- 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: 2.1
- Topological Polar Surface Area: 56.1?2
Experimental Properties
- PSA: 56.13
3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(phenylamino)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
62617-48-5 (3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(phenylamino)-) Related Products
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