Cas no 1176413-42-5 (6-Bromo-pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid dimethyl ester)
![6-Bromo-pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid dimethyl ester structure](https://ossimg.kuujia.com/scimg/1176500/1176413-42-5x500.png)
1176413-42-5 structure
Product Name:6-Bromo-pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid dimethyl ester
CAS No:1176413-42-5
MF:C11H9BrN2O4
MW:313.104161977768
CID:2108624
Update Time:2023-08-03
6-Bromo-pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- dimethyl 6-bromoH-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
- SFDCEFXOPZMUKK-UHFFFAOYSA-N
- 6-bromo-pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid dimethyl ester
- 6-Bromo-pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid dimethyl ester
-
- Inchi： 1S/C11H9BrN2O4/c1-17-10(15)8-7-4-3-6(12)5-14(7)13-9(8)11(16)18-2/h3-5H,1-2H3
- InChI Key： SFDCEFXOPZMUKK-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C(=O)OC)C(C(=O)OC)=NN2C=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 352
- Topological Polar Surface Area: 69.9
6-Bromo-pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid dimethyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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
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