Cas no 1111106-18-3 (4-(6-oxo-1H-pyridin-3-yl)benzonitrile)
1111106-18-3 structure
Product Name:4-(6-oxo-1H-pyridin-3-yl)benzonitrile
CAS No:1111106-18-3
MF:C12H8N2O
MW:196.20472240448
CID:2606653
PubChem ID:53217517
Update Time:2025-04-21
4-(6-oxo-1H-pyridin-3-yl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(6-oxo-1H-pyridin-3-yl)benzonitrile
- DTXSID30682550
- MFCD11876460
- 5-(4-Cyanophenyl)-2-hydroxypyridine, 95%
- 4-(6-Oxo-1,6-dihydropyridin-3-yl)benzonitrile
- SCHEMBL20646149
- 1111106-18-3
- 5-(4-CYANOPHENYL)-2-HYDROXYPYRIDINE
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- Inchi： 1S/C12H8N2O/c13-7-9-1-3-10(4-2-9)11-5-6-12(15)14-8-11/h1-6,8H,(H,14,15)
- InChI Key： GTBHRYGLMBAGOD-UHFFFAOYSA-N
- SMILES： O=C1C=CC(=CN1)C1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 196.063662883Da
- Monoisotopic Mass: 196.063662883Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 364
- 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: 1.1
- Topological Polar Surface Area: 52.9?2
4-(6-oxo-1H-pyridin-3-yl)benzonitrile Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
1111106-18-3 (4-(6-oxo-1H-pyridin-3-yl)benzonitrile) Related Products
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