Cas no 68175-14-4 ( )
structure
Product Name:
CAS No:68175-14-4
MF:C9H10BrN3
MW:240.0998005867
CID:869741
PubChem ID:12467715
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 6-Bromo-2-isopropyl-3H-imidazo[4,5-b]pyridine
- 6-bromo-2-propan-2-yl-1H-imidazo[4,5-b]pyridine
- DTXSID60499431
- SCHEMBL12309248
- 6-Bromo-2-(propan-2-yl)-1H-imidazo[4,5-b]pyridine
- 68175-14-4
- 6-bromo-2-(propan-2-yl)-3H-imidazo[4,5-b]pyridine
- AKOS009029529
-
-
- Inchi： 1S/C9H10BrN3/c1-5(2)8-12-7-3-6(10)4-11-9(7)13-8/h3-5H,1-2H3,(H,11,12,13)
- InChI Key： JEBNOBIICJGLIB-UHFFFAOYSA-N
- SMILES： BrC1C=NC2=C(C=1)NC(C(C)C)=N2
Computed Properties
- Exact Mass: 239.00600
- Monoisotopic Mass: 239.00581g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 186
- 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: 2.6
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- PSA: 41.57000
- LogP: 2.84380
Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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