Cas no 934542-52-6 (5-bromo-9H-Pyrido[2,3-b]indole)
![5-bromo-9H-Pyrido[2,3-b]indole structure](https://ossimg.kuujia.com/scimg/935000/934542-52-6x500.png)
934542-52-6 structure
Product Name:5-bromo-9H-Pyrido[2,3-b]indole
CAS No:934542-52-6
MF:C11H7BrN2
MW:247.090681314468
CID:1122084
PubChem ID:16124640
Update Time:2025-04-20
5-bromo-9H-Pyrido[2,3-b]indole Chemical and Physical Properties
Names and Identifiers
-
- 5-bromo-9H-Pyrido[2,3-b]indole
- SCHEMBL647434
- 934542-52-6
- DGESUNQUAWIVQS-UHFFFAOYSA-N
-
- Inchi： 1S/C11H7BrN2/c12-8-4-1-5-9-10(8)7-3-2-6-13-11(7)14-9/h1-6H,(H,13,14)
- InChI Key： DGESUNQUAWIVQS-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC2=C1C1=CC=CN=C1N2
Computed Properties
- Exact Mass: 245.97926g/mol
- Monoisotopic Mass: 245.97926g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 221
- 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: 3.3
- Topological Polar Surface Area: 28.7?2
5-bromo-9H-Pyrido[2,3-b]indole Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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