Cas no 162272-97-1 (6-(trifluoromethyl)-9H-Pyrido[3,4-b]indole)
162272-97-1 structure
Product Name:6-(trifluoromethyl)-9H-Pyrido[3,4-b]indole
CAS No:162272-97-1
MF:C12H7F3N2
MW:236.192592859268
CID:1107181
PubChem ID:14929458
Update Time:2025-04-20
6-(trifluoromethyl)-9H-Pyrido[3,4-b]indole Chemical and Physical Properties
Names and Identifiers
-
- 6-(trifluoromethyl)-9H-Pyrido[3,4-b]indole
- BDBM50130250
- DTXSID50565598
- 162272-97-1
- DB-350217
- CHEMBL78618
- 6-Trifluoromethyl-9H-beta-carboline
- SCHEMBL14253033
- 6-(Trifluoromethyl)-9H-beta-carboline
- 6-trifluoromethyl-b-carboline
- DTIBSUIWQIHXOH-UHFFFAOYSA-N
-
- Inchi: 1S/C12H7F3N2/c13-12(14,15)7-1-2-10-9(5-7)8-3-4-16-6-11(8)17-10/h1-6,17H
- InChI Key: DTIBSUIWQIHXOH-UHFFFAOYSA-N
- SMILES: FC(C1C=CC2=C(C=1)C1C=CN=CC=1N2)(F)F
Computed Properties
- Exact Mass: 236.05613272g/mol
- Monoisotopic Mass: 236.05613272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 292
- 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: 4.1
- Topological Polar Surface Area: 28.7?2
6-(trifluoromethyl)-9H-Pyrido[3,4-b]indole Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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