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

C12H7Br2NS — CID 142472315

IUPAC5-bromo-3-(2-bromothiophen-3-yl)-1H-indole
SMILESBrc1ccc2[nH]cc(-c3ccsc3Br)c2c1
InChIInChI=1S/C12H7Br2NS/c13-7-1-2-11-9(5-7)10(6-15-11)8-3-4-16-12(8)14/h1-6,15H
InChIKeyXOKUJKKAZPYJLU-UHFFFAOYSA-N
MW357.07 g/mol
LogP5.42
Rot. Bonds1

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

5-bromo-3-(2-bromothiophen-3-yl)-1H-indole (PubChem CID 142472315) has the molecular formula C12H7Br2NS and a molecular weight of 357.07 g/mol. Its IUPAC name is 5-bromo-3-(2-bromothiophen-3-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(2-bromothiophen-3-yl)-1H-indole
PubChem CID142472315
Molecular FormulaC12H7Br2NS
Molecular Weight357.07 g/mol
Exact Mass354.87
IUPAC Name5-bromo-3-(2-bromothiophen-3-yl)-1H-indole
SMILESBrc1ccc2[nH]cc(-c3ccsc3Br)c2c1
InChIInChI=1S/C12H7Br2NS/c13-7-1-2-11-9(5-7)10(6-15-11)8-3-4-16-12(8)14/h1-6,15H
InChIKeyXOKUJKKAZPYJLU-UHFFFAOYSA-N
XLogP5.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.07
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole
CID 171351147
5-bromo-3-(4-chlorophenyl)-1H-indole
CID 132595154
(5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 63798607
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724
[2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol
CID 175194429
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole
CID 163052484
3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile
CID 135380382
3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11180628
2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile
CID 86668667
5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole
CID 142472299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-bromothiophen-3-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(2-bromothiophen-3-yl)-1H-indole (CID 142472315) is 5-bromo-3-(2-bromothiophen-3-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(2-bromothiophen-3-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(2-bromothiophen-3-yl)-1H-indole is Brc1ccc2[nH]cc(-c3ccsc3Br)c2c1.
What is the InChIKey of 5-bromo-3-(2-bromothiophen-3-yl)-1H-indole?
The InChIKey is XOKUJKKAZPYJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2NS/c13-7-1-2-11-9(5-7)10(6-15-11)8-3-4-16-12(8)14/h1-6,15H.
What are the key properties of 5-bromo-3-(2-bromothiophen-3-yl)-1H-indole?
5-bromo-3-(2-bromothiophen-3-yl)-1H-indole has a molecular weight of 357.07 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-bromothiophen-3-yl)-1H-indole is sourced from PubChem (CID 142472315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).