Cas no 864681-19-6 (1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-iodo-, ethyl ester)
![1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-iodo-, ethyl ester structure](https://ossimg.kuujia.com/scimg/865000/864681-19-6x500.png)
864681-19-6 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-iodo-, ethyl ester
CAS No:864681-19-6
MF:C10H9IN2O2
MW:316.095134496689
CID:835030
PubChem ID:11771460
Update Time:2025-04-19
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-iodo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-iodo-, ethyl ester
- Ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
- SCHEMBL2181151
- F94812
- FT-0717833
- DTXSID90472272
- 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid,3-iodo-,ethyl ester
- MNUBMJUWIJKMEL-UHFFFAOYSA-N
- 864681-19-6
- 3-Iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester
-
- Inchi： 1S/C10H9IN2O2/c1-2-15-10(14)6-3-7-8(11)5-13-9(7)12-4-6/h3-5H,2H2,1H3,(H,12,13)
- InChI Key： MNUBMJUWIJKMEL-UHFFFAOYSA-N
- SMILES： IC1=CNC2C1=CC(C(=O)OCC)=CN=2
Computed Properties
- Exact Mass: 315.97088g/mol
- Monoisotopic Mass: 315.97088g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 250
- 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: 2.2
- Topological Polar Surface Area: 55?2
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-iodo-, ethyl ester Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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