6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol

C7H9NO3S — CID 171384702

IUPAC6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol
SMILESO=S1(=O)C=C2NCCCC2=C1O
InChIInChI=1S/C7H9NO3S/c9-7-5-2-1-3-8-6(5)4-12(7,10)11/h4,8-9H,1-3H2
InChIKeyGJBKHPNWZGUCIV-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.41
Rot. Bonds

About 6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol

6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol (PubChem CID 171384702) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol
PubChem CID171384702
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol
SMILESO=S1(=O)C=C2NCCCC2=C1O
InChIInChI=1S/C7H9NO3S/c9-7-5-2-1-3-8-6(5)4-12(7,10)11/h4,8-9H,1-3H2
InChIKeyGJBKHPNWZGUCIV-UHFFFAOYSA-N
XLogP0.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol?
The IUPAC name of 6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol (CID 171384702) is 6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol?
The canonical SMILES for 6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol is O=S1(=O)C=C2NCCCC2=C1O.
What is the InChIKey of 6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol?
The InChIKey is GJBKHPNWZGUCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c9-7-5-2-1-3-8-6(5)4-12(7,10)11/h4,8-9H,1-3H2.
What are the key properties of 6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol?
6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol has a molecular weight of 187.22 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-1,2,3,4-tetrahydrothieno[3,4-b]pyridin-5-ol is sourced from PubChem (CID 171384702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).