Cas no 800401-57-4 (1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-cyano-)
![1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-cyano- structure](https://ossimg.kuujia.com/scimg/800500/800401-57-4x500.png)
800401-57-4 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-cyano-
CAS No:800401-57-4
MF:C9H5N3O2
MW:187.154901266098
CID:835217
PubChem ID:67278891
Update Time:2025-04-19
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-cyano- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-cyano-
- 6-Cyano-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
- SCHEMBL2107349
- 800401-57-4
-
- Inchi： 1S/C9H5N3O2/c10-4-6-2-1-5-3-7(9(13)14)12-8(5)11-6/h1-3H,(H,11,12)(H,13,14)
- InChI Key： JRUYFJROYXAOAW-UHFFFAOYSA-N
- SMILES： OC(C1=CC2=CC=C(C#N)N=C2N1)=O
Computed Properties
- Exact Mass: 187.038176411g/mol
- Monoisotopic Mass: 187.038176411g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 296
- 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: 1.2
- Topological Polar Surface Area: 89.8?2
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-cyano- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
800401-57-4 (1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-cyano-) Related Products
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