6H-thieno[3,2-b]pyridin-7-one

C7H5NOS — CID 68849031

IUPAC6H-thieno[3,2-b]pyridin-7-one
SMILESO=C1CC=Nc2ccsc21
InChIInChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h2-4H,1H2
InChIKeyVLRPMIZSTJYQIG-UHFFFAOYSA-N
MW151.19 g/mol
LogP2.04
Rot. Bonds

About 6H-thieno[3,2-b]pyridin-7-one

6H-thieno[3,2-b]pyridin-7-one (PubChem CID 68849031) has the molecular formula C7H5NOS and a molecular weight of 151.19 g/mol. Its IUPAC name is 6H-thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name6H-thieno[3,2-b]pyridin-7-one
PubChem CID68849031
Molecular FormulaC7H5NOS
Molecular Weight151.19 g/mol
Exact Mass151.01
IUPAC Name6H-thieno[3,2-b]pyridin-7-one
SMILESO=C1CC=Nc2ccsc21
InChIInChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h2-4H,1H2
InChIKeyVLRPMIZSTJYQIG-UHFFFAOYSA-N
XLogP2.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6H-thieno[3,2-b]pyridin-7-one?
The IUPAC name of 6H-thieno[3,2-b]pyridin-7-one (CID 68849031) is 6H-thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 6H-thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 6H-thieno[3,2-b]pyridin-7-one is O=C1CC=Nc2ccsc21.
What is the InChIKey of 6H-thieno[3,2-b]pyridin-7-one?
The InChIKey is VLRPMIZSTJYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h2-4H,1H2.
What are the key properties of 6H-thieno[3,2-b]pyridin-7-one?
6H-thieno[3,2-b]pyridin-7-one has a molecular weight of 151.19 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 68849031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).