5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one

C11H7BrClNO2S — CID 60665447

IUPAC5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)c1ccc(Cl)s1
InChIInChI=1S/C11H7BrClNO2S/c12-7-1-4-11(16)14(5-7)6-8(15)9-2-3-10(13)17-9/h1-5H,6H2
InChIKeyALANAMPXRLZROM-UHFFFAOYSA-N
MW332.61 g/mol
LogP3.21
Rot. Bonds3

About 5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 60665447) has the molecular formula C11H7BrClNO2S and a molecular weight of 332.61 g/mol. Its IUPAC name is 5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one
PubChem CID60665447
Molecular FormulaC11H7BrClNO2S
Molecular Weight332.61 g/mol
Exact Mass330.91
IUPAC Name5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)c1ccc(Cl)s1
InChIInChI=1S/C11H7BrClNO2S/c12-7-1-4-11(16)14(5-7)6-8(15)9-2-3-10(13)17-9/h1-5H,6H2
InChIKeyALANAMPXRLZROM-UHFFFAOYSA-N
XLogP3.21
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one (CID 60665447) is 5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)c1ccc(Cl)s1.
What is the InChIKey of 5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is ALANAMPXRLZROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2S/c12-7-1-4-11(16)14(5-7)6-8(15)9-2-3-10(13)17-9/h1-5H,6H2.
What are the key properties of 5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 332.61 g/mol, XLogP of 3.21, 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-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 60665447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).