5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one

C11H6Br3NO2S — CID 60665677

IUPAC5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H6Br3NO2S/c12-6-1-2-10(17)15(4-6)5-8(16)7-3-9(13)18-11(7)14/h1-4H,5H2
InChIKeyCXWQALNDCJBPSK-UHFFFAOYSA-N
MW455.95 g/mol
LogP4.08
Rot. Bonds3

About 5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 60665677) has the molecular formula C11H6Br3NO2S and a molecular weight of 455.95 g/mol. Its IUPAC name is 5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one
PubChem CID60665677
Molecular FormulaC11H6Br3NO2S
Molecular Weight455.95 g/mol
Exact Mass452.77
IUPAC Name5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H6Br3NO2S/c12-6-1-2-10(17)15(4-6)5-8(16)7-3-9(13)18-11(7)14/h1-4H,5H2
InChIKeyCXWQALNDCJBPSK-UHFFFAOYSA-N
XLogP4.08
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one (CID 60665677) is 5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)c1cc(Br)sc1Br.
What is the InChIKey of 5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is CXWQALNDCJBPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3NO2S/c12-6-1-2-10(17)15(4-6)5-8(16)7-3-9(13)18-11(7)14/h1-4H,5H2.
What are the key properties of 5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 455.95 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 60665677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).