4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one

C9H9NO2S — CID 139651687

IUPAC4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one
SMILESCCn1c(=O)cc(O)c2sccc21
InChIInChI=1S/C9H9NO2S/c1-2-10-6-3-4-13-9(6)7(11)5-8(10)12/h3-5,11H,2H2,1H3
InChIKeyQVRUIABQHJQPSG-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.79
Rot. Bonds1

About 4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one

4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one (PubChem CID 139651687) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one
PubChem CID139651687
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one
SMILESCCn1c(=O)cc(O)c2sccc21
InChIInChI=1S/C9H9NO2S/c1-2-10-6-3-4-13-9(6)7(11)5-8(10)12/h3-5,11H,2H2,1H3
InChIKeyQVRUIABQHJQPSG-UHFFFAOYSA-N
XLogP1.79
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one?
The IUPAC name of 4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one (CID 139651687) is 4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one?
The canonical SMILES for 4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one is CCn1c(=O)cc(O)c2sccc21.
What is the InChIKey of 4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one?
The InChIKey is QVRUIABQHJQPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-2-10-6-3-4-13-9(6)7(11)5-8(10)12/h3-5,11H,2H2,1H3.
What are the key properties of 4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one?
4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one has a molecular weight of 195.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-hydroxythieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 139651687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).