Cas no 947533-92-8 ( )
structure
Product Name:
CAS No:947533-92-8
MF:C10H10BrN3
MW:252.110500812531
CID:869026
PubChem ID:45158519
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 6-bromo-2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine
- 6-Bromo-2-cyclopropylmethyl-3H-imidazo[4,5-b]pyridine
- 6-BROMO-2-(CYCLOPROPYLMETHYL)-3H-IMIDAZO[4,5-B]PYRIDINE
- DTXSID00669555
- AKOS010941715
- 947533-92-8
-
-
- Inchi： 1S/C10H10BrN3/c11-7-4-8-10(12-5-7)14-9(13-8)3-6-1-2-6/h4-6H,1-3H2,(H,12,13,14)
- InChI Key： YMPMQAWXZHCMMU-UHFFFAOYSA-N
- SMILES： BrC1C=NC2=C(C=1)NC(CC1CC1)=N2
Computed Properties
- Exact Mass: 251.00600
- Monoisotopic Mass: 251.00581g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 219
- 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: 2.9
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- PSA: 41.57000
- LogP: 2.67290
Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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