3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole

C12H7BrFNS — CID 171351147

IUPAC3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(-c3ccsc3Br)c2c1
InChIInChI=1S/C12H7BrFNS/c13-12-8(3-4-16-12)10-6-15-11-2-1-7(14)5-9(10)11/h1-6,15H
InChIKeyCTHHOBJEMCUYEM-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.80
Rot. Bonds1

About 3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole

3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole (PubChem CID 171351147) has the molecular formula C12H7BrFNS and a molecular weight of 296.16 g/mol. Its IUPAC name is 3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole
PubChem CID171351147
Molecular FormulaC12H7BrFNS
Molecular Weight296.16 g/mol
Exact Mass294.95
IUPAC Name3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(-c3ccsc3Br)c2c1
InChIInChI=1S/C12H7BrFNS/c13-12-8(3-4-16-12)10-6-15-11-2-1-7(14)5-9(10)11/h1-6,15H
InChIKeyCTHHOBJEMCUYEM-UHFFFAOYSA-N
XLogP4.80
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-(2-bromothiophen-3-yl)-1H-indole
CID 142472315
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
5-fluoro-1H-indol-3-ol
CID 90083452
3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
CID 82385944
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole
CID 142472299
CID 58748813
CID 58748813
1-tert-butyl-3,4-bis(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione
CID 101149580
3-(5-fluoro-1H-indol-3-yl)benzamide
CID 141029269
3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985983
2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile
CID 73013513
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole?
The IUPAC name of 3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole (CID 171351147) is 3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole.
What is the SMILES notation for 3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole?
The canonical SMILES for 3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole is Fc1ccc2[nH]cc(-c3ccsc3Br)c2c1.
What is the InChIKey of 3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole?
The InChIKey is CTHHOBJEMCUYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNS/c13-12-8(3-4-16-12)10-6-15-11-2-1-7(14)5-9(10)11/h1-6,15H.
What are the key properties of 3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole?
3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole has a molecular weight of 296.16 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole is sourced from PubChem (CID 171351147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).