2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone

C14H8Br2ClNOS — CID 63879206

IUPAC2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESO=C(Cn1ccc2cc(Cl)ccc21)c1cc(Br)sc1Br
InChIInChI=1S/C14H8Br2ClNOS/c15-13-6-10(14(16)20-13)12(19)7-18-4-3-8-5-9(17)1-2-11(8)18/h1-6H,7H2
InChIKeyXMYYVASQSNSVAM-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.76
Rot. Bonds3

About 2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone

2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone (PubChem CID 63879206) has the molecular formula C14H8Br2ClNOS and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
PubChem CID63879206
Molecular FormulaC14H8Br2ClNOS
Molecular Weight433.55 g/mol
Exact Mass430.84
IUPAC Name2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESO=C(Cn1ccc2cc(Cl)ccc21)c1cc(Br)sc1Br
InChIInChI=1S/C14H8Br2ClNOS/c15-13-6-10(14(16)20-13)12(19)7-18-4-3-8-5-9(17)1-2-11(8)18/h1-6H,7H2
InChIKeyXMYYVASQSNSVAM-UHFFFAOYSA-N
XLogP5.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone?
The IUPAC name of 2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone (CID 63879206) is 2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone.
What is the SMILES notation for 2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone?
The canonical SMILES for 2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone is O=C(Cn1ccc2cc(Cl)ccc21)c1cc(Br)sc1Br.
What is the InChIKey of 2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone?
The InChIKey is XMYYVASQSNSVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClNOS/c15-13-6-10(14(16)20-13)12(19)7-18-4-3-8-5-9(17)1-2-11(8)18/h1-6H,7H2.
What are the key properties of 2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone?
2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone has a molecular weight of 433.55 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone is sourced from PubChem (CID 63879206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).