Cas no 331416-68-3 (1H-Imidazo[4,5-b]pyridine, 6-bromo-2-(4-methoxyphenyl)-)
331416-68-3 structure
Product Name:1H-Imidazo[4,5-b]pyridine, 6-bromo-2-(4-methoxyphenyl)-
CAS No:331416-68-3
MF:C13H10BrN3O
MW:304.142001628876
CID:1455316
PubChem ID:15892244
Update Time:2025-04-20
1H-Imidazo[4,5-b]pyridine, 6-bromo-2-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazo[4,5-b]pyridine, 6-bromo-2-(4-methoxyphenyl)-
- 6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridine
- Oprea1_072647
- Oprea1_421742
- SCHEMBL4053079
- 6-bromo-2-(4-methoxyphenyl)-1h-imidazo[4,5-b]pyridine
- AKOS005943056
- DB-317989
- 331416-68-3
-
- Inchi: 1S/C13H10BrN3O/c1-18-10-4-2-8(3-5-10)12-16-11-6-9(14)7-15-13(11)17-12/h2-7H,1H3,(H,15,16,17)
- InChI Key: KXXNSRRQEABRTD-UHFFFAOYSA-N
- SMILES: BrC1C=NC2=C(C=1)NC(C1C=CC(=CC=1)OC)=N2
Computed Properties
- Exact Mass: 303.0008
- Monoisotopic Mass: 303.00072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 283
- 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: 3.1
- Topological Polar Surface Area: 50.8?2
Experimental Properties
- PSA: 50.8
1H-Imidazo[4,5-b]pyridine, 6-bromo-2-(4-methoxyphenyl)- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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