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

C11H7Br2NO2S — CID 62018815

IUPAC1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H7Br2NO2S/c12-9-5-7(11(13)17-9)8(15)6-14-4-2-1-3-10(14)16/h1-5H,6H2
InChIKeyTZFVOEZBFCJLFR-UHFFFAOYSA-N
MW377.06 g/mol
LogP3.32
Rot. Bonds3

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

1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 62018815) has the molecular formula C11H7Br2NO2S and a molecular weight of 377.06 g/mol. Its IUPAC name is 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one
PubChem CID62018815
Molecular FormulaC11H7Br2NO2S
Molecular Weight377.06 g/mol
Exact Mass374.86
IUPAC Name1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H7Br2NO2S/c12-9-5-7(11(13)17-9)8(15)6-14-4-2-1-3-10(14)16/h1-5H,6H2
InChIKeyTZFVOEZBFCJLFR-UHFFFAOYSA-N
XLogP3.32
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.06
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one (CID 62018815) is 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one is O=C(Cn1ccccc1=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is TZFVOEZBFCJLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO2S/c12-9-5-7(11(13)17-9)8(15)6-14-4-2-1-3-10(14)16/h1-5H,6H2.
What are the key properties of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one?
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 377.06 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62018815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).