6-(1-benzothiophen-2-yl)-1H-pyridin-2-one

C13H9NOS — CID 53217900

IUPAC6-(1-benzothiophen-2-yl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2cc3ccccc3s2)[nH]1
InChIInChI=1S/C13H9NOS/c15-13-7-3-5-10(14-13)12-8-9-4-1-2-6-11(9)16-12/h1-8H,(H,14,15)
InChIKeyFGLOSMCLGCAROT-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.26
Rot. Bonds1

About 6-(1-benzothiophen-2-yl)-1H-pyridin-2-one

6-(1-benzothiophen-2-yl)-1H-pyridin-2-one (PubChem CID 53217900) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-1H-pyridin-2-one
PubChem CID53217900
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name6-(1-benzothiophen-2-yl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2cc3ccccc3s2)[nH]1
InChIInChI=1S/C13H9NOS/c15-13-7-3-5-10(14-13)12-8-9-4-1-2-6-11(9)16-12/h1-8H,(H,14,15)
InChIKeyFGLOSMCLGCAROT-UHFFFAOYSA-N
XLogP3.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(1-benzothiophen-2-yl)-1H-pyridin-2-one (CID 53217900) is 6-(1-benzothiophen-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-1H-pyridin-2-one is O=c1cccc(-c2cc3ccccc3s2)[nH]1.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-1H-pyridin-2-one?
The InChIKey is FGLOSMCLGCAROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c15-13-7-3-5-10(14-13)12-8-9-4-1-2-6-11(9)16-12/h1-8H,(H,14,15).
What are the key properties of 6-(1-benzothiophen-2-yl)-1H-pyridin-2-one?
6-(1-benzothiophen-2-yl)-1H-pyridin-2-one has a molecular weight of 227.29 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 53217900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).