Cas no 918138-48-4 (Benzonitrile, 4-[5-(3-pyridinyloxy)-3-pyridinyl]-)
![Benzonitrile, 4-[5-(3-pyridinyloxy)-3-pyridinyl]- structure](https://ossimg.kuujia.com/scimg/918500/918138-48-4x500.png)
918138-48-4 structure
Product Name:Benzonitrile, 4-[5-(3-pyridinyloxy)-3-pyridinyl]-
CAS No:918138-48-4
MF:C17H11N3O
MW:273.288743257523
CID:779634
PubChem ID:16116738
Update Time:2025-04-19
Benzonitrile, 4-[5-(3-pyridinyloxy)-3-pyridinyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[5-(3-pyridinyloxy)-3-pyridinyl]-
- 4-(5-pyridin-3-yloxypyridin-3-yl)benzonitrile
- 918138-48-4
- DTXSID60583061
- 4-{5-[(Pyridin-3-yl)oxy]pyridin-3-yl}benzonitrile
-
- Inchi： 1S/C17H11N3O/c18-9-13-3-5-14(6-4-13)15-8-17(12-20-10-15)21-16-2-1-7-19-11-16/h1-8,10-12H
- InChI Key： UPWYNNCHJHYINS-UHFFFAOYSA-N
- SMILES： O(C1C=NC=CC=1)C1=CN=CC(=C1)C1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 273.090211983g/mol
- Monoisotopic Mass: 273.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 370
- 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: 2.7
- Topological Polar Surface Area: 58.8?2
Benzonitrile, 4-[5-(3-pyridinyloxy)-3-pyridinyl]- Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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