Cas no 952800-37-2 (methyl 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate)
![methyl 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate structure](https://ossimg.kuujia.com/scimg/953000/952800-37-2x500.png)
952800-37-2 structure
Product Name:methyl 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CAS No:952800-37-2
MF:C10H6BrF3N2O2
MW:323.066051959991
CID:1987588
PubChem ID:45073301
Update Time:2025-04-21
methyl 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
- LogP
- METHYL 3-BROMO-6-(TRIFLUOROMETHYL)-7-AZAINDOLE-2-CARBOXYLATE
- DTXSID00662723
- 952800-37-2
- AKOS015995917
-
- Inchi： 1S/C10H6BrF3N2O2/c1-18-9(17)7-6(11)4-2-3-5(10(12,13)14)15-8(4)16-7/h2-3H,1H3,(H,15,16)
- InChI Key： XRVMZHISSGDOPE-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=O)OC)NC2C1=CC=C(C(F)(F)F)N=2
Computed Properties
- Exact Mass: 321.95647Da
- Monoisotopic Mass: 321.95647Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 340
- 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: 55?2
methyl 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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