Cas no 1111109-69-3 (5-(3,5-dimethylphenyl)-1H-pyridin-2-one)
1111109-69-3 structure
Product Name:5-(3,5-dimethylphenyl)-1H-pyridin-2-one
CAS No:1111109-69-3
MF:C13H13NO
MW:199.248423337936
CID:2606719
PubChem ID:53217561
Update Time:2025-04-21
5-(3,5-dimethylphenyl)-1H-pyridin-2-one Chemical and Physical Properties
Names and Identifiers
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- 5-(3,5-dimethylphenyl)-1H-pyridin-2-one
- 1111109-69-3
- DTXSID10682593
- 5-(3,5-Dimethylphenyl)pyridin-2(1H)-one
- 5-(3,5-Dimethylphenyl)-2-hydroxypyridine, 95%
- MFCD11876529
- 5-(3,5-DIMETHYLPHENYL)-2-HYDROXYPYRIDINE
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- Inchi： 1S/C13H13NO/c1-9-5-10(2)7-12(6-9)11-3-4-13(15)14-8-11/h3-8H,1-2H3,(H,14,15)
- InChI Key： JDDHQLDOWCXZTO-UHFFFAOYSA-N
- SMILES： O=C1C=CC(=CN1)C1C=C(C)C=C(C)C=1
Computed Properties
- Exact Mass: 199.099714038Da
- Monoisotopic Mass: 199.099714038Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 306
- 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: 29.1?2
5-(3,5-dimethylphenyl)-1H-pyridin-2-one Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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