Cas no 28739-56-2 (3H-Pyrazolo[3,4-b]pyridin-3-one,1,2-dihydro-2-(phenylmethyl)-)
![3H-Pyrazolo[3,4-b]pyridin-3-one,1,2-dihydro-2-(phenylmethyl)- structure](https://ossimg.kuujia.com/scimg/29000/28739-56-2x500.png)
28739-56-2 structure
Product Name:3H-Pyrazolo[3,4-b]pyridin-3-one,1,2-dihydro-2-(phenylmethyl)-
CAS No:28739-56-2
MF:C13H11N3O
MW:225.245942354202
CID:239207
PubChem ID:24828850
Update Time:2025-04-19
3H-Pyrazolo[3,4-b]pyridin-3-one,1,2-dihydro-2-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazolo[3,4-b]pyridin-3-one,1,2-dihydro-2-(phenylmethyl)-
- 2-benzyl-1H-pyrazolo[3,4-b]pyridin-3-one
- 2-benzyl-1,2-dihydro-3H-Pyrazolo[3,4-b]pyridin-3-one
- LogP
- 2-benzyl-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
- 28739-56-2
- 2-benzyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
- DTXSID90647625
-
- Inchi： 1S/C13H11N3O/c17-13-11-7-4-8-14-12(11)15-16(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
- InChI Key： OHAACBLPMHLPIP-UHFFFAOYSA-N
- SMILES： O=C1C2=CC=CN=C2NN1CC1C=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: 288
- 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: 45.2?2
Experimental Properties
- Density: 1.297
- Boiling Point: 416.9°C at 760 mmHg
- Flash Point: 206°C
- Refractive Index: 1.652
- PSA: 45.23
3H-Pyrazolo[3,4-b]pyridin-3-one,1,2-dihydro-2-(phenylmethyl)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
28739-56-2 (3H-Pyrazolo[3,4-b]pyridin-3-one,1,2-dihydro-2-(phenylmethyl)-) Related Products
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