Cas no 1198016-36-2 (5-Formyl-3-methylpicolinonitrile)
1198016-36-2 structure
Product Name:5-Formyl-3-methylpicolinonitrile
CAS No:1198016-36-2
MF:C8H6N2O
MW:146.14604139328
CID:2115029
Update Time:2023-08-04
5-Formyl-3-methylpicolinonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-formyl-3-methylpicolinonitrile
- HZHLVEBNYZCFDN-UHFFFAOYSA-N
- 5-Formyl-3-methyl-2-pyridinecarbonitrile
- 2-Pyridinecarbonitrile, 5-formyl-3-methyl-
- 5-Formyl-3-methylpicolinonitrile
-
- Inchi： 1S/C8H6N2O/c1-6-2-7(5-11)4-10-8(6)3-9/h2,4-5H,1H3
- InChI Key： HZHLVEBNYZCFDN-UHFFFAOYSA-N
- SMILES： O=CC1=CN=C(C#N)C(C)=C1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 194
- Topological Polar Surface Area: 53.8
5-Formyl-3-methylpicolinonitrile Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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