Cas no 2092694-89-6 (methyl 7-bromo-3H-imidazo[4,5-b]pyridine-2-carboxylate)
![methyl 7-bromo-3H-imidazo[4,5-b]pyridine-2-carboxylate structure](https://ossimg.kuujia.com/scimg/2093000/2092694-89-6x500.png)
2092694-89-6 structure
Product Name:methyl 7-bromo-3H-imidazo[4,5-b]pyridine-2-carboxylate
CAS No:2092694-89-6
MF:C8H6BrN3O2
MW:256.056140422821
CID:6834925
PubChem ID:131296660
Update Time:2025-03-04
methyl 7-bromo-3H-imidazo[4,5-b]pyridine-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 7-bromo-3H-imidazo[4,5-b]pyridine-2-carboxylate
- 2092694-89-6
- EN300-29327423
-
- Inchi： 1S/C8H6BrN3O2/c1-14-8(13)7-11-5-4(9)2-3-10-6(5)12-7/h2-3H,1H3,(H,10,11,12)
- InChI Key： SXKICFIPKAMPIO-UHFFFAOYSA-N
- SMILES： BrC1=CC=NC2=C1NC(C(=O)OC)=N2
Computed Properties
- Exact Mass: 254.96434Da
- Monoisotopic Mass: 254.96434Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 239
- 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: 1.6
- Topological Polar Surface Area: 67.9?2
methyl 7-bromo-3H-imidazo[4,5-b]pyridine-2-carboxylate Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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