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

C13H9NO2S — CID 14343366

IUPAC2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one
SMILESCc1c(-c2ccco2)sc2ncccc2c1=O
InChIInChI=1S/C13H9NO2S/c1-8-11(15)9-4-2-6-14-13(9)17-12(8)10-5-3-7-16-10/h2-7H,1H3
InChIKeyNOUJZHBDRPCLIP-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.22
Rot. Bonds1

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

2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one (PubChem CID 14343366) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one
PubChem CID14343366
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one
SMILESCc1c(-c2ccco2)sc2ncccc2c1=O
InChIInChI=1S/C13H9NO2S/c1-8-11(15)9-4-2-6-14-13(9)17-12(8)10-5-3-7-16-10/h2-7H,1H3
InChIKeyNOUJZHBDRPCLIP-UHFFFAOYSA-N
XLogP3.22
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one?
The IUPAC name of 2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one (CID 14343366) is 2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one is Cc1c(-c2ccco2)sc2ncccc2c1=O.
What is the InChIKey of 2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one?
The InChIKey is NOUJZHBDRPCLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c1-8-11(15)9-4-2-6-14-13(9)17-12(8)10-5-3-7-16-10/h2-7H,1H3.
What are the key properties of 2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one?
2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one has a molecular weight of 243.29 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 14343366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).