3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one

C14H11NO2S — CID 14343368

IUPAC3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one
SMILESCCc1c(-c2ccco2)sc2ncccc2c1=O
InChIInChI=1S/C14H11NO2S/c1-2-9-12(16)10-5-3-7-15-14(10)18-13(9)11-6-4-8-17-11/h3-8H,2H2,1H3
InChIKeyOBKKRGDWLCJLNV-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.48
Rot. Bonds2

About 3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one

3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one (PubChem CID 14343368) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one
PubChem CID14343368
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one
SMILESCCc1c(-c2ccco2)sc2ncccc2c1=O
InChIInChI=1S/C14H11NO2S/c1-2-9-12(16)10-5-3-7-15-14(10)18-13(9)11-6-4-8-17-11/h3-8H,2H2,1H3
InChIKeyOBKKRGDWLCJLNV-UHFFFAOYSA-N
XLogP3.48
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one?
The IUPAC name of 3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one (CID 14343368) is 3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one is CCc1c(-c2ccco2)sc2ncccc2c1=O.
What is the InChIKey of 3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one?
The InChIKey is OBKKRGDWLCJLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-2-9-12(16)10-5-3-7-15-14(10)18-13(9)11-6-4-8-17-11/h3-8H,2H2,1H3.
What are the key properties of 3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one?
3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one has a molecular weight of 257.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 14343368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).