1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone

C9H6ClNOS — CID 20594199

IUPAC1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone
SMILESCC(=O)c1cnc2ccsc2c1Cl
InChIInChI=1S/C9H6ClNOS/c1-5(12)6-4-11-7-2-3-13-9(7)8(6)10/h2-4H,1H3
InChIKeyCFJOVUCYMWBZDZ-UHFFFAOYSA-N
MW211.67 g/mol
LogP3.15
Rot. Bonds1

About 1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone

1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone (PubChem CID 20594199) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is 1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone
PubChem CID20594199
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC Name1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone
SMILESCC(=O)c1cnc2ccsc2c1Cl
InChIInChI=1S/C9H6ClNOS/c1-5(12)6-4-11-7-2-3-13-9(7)8(6)10/h2-4H,1H3
InChIKeyCFJOVUCYMWBZDZ-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone?
The IUPAC name of 1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone (CID 20594199) is 1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone is CC(=O)c1cnc2ccsc2c1Cl.
What is the InChIKey of 1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone?
The InChIKey is CFJOVUCYMWBZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c1-5(12)6-4-11-7-2-3-13-9(7)8(6)10/h2-4H,1H3.
What are the key properties of 1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone?
1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone has a molecular weight of 211.67 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chlorothieno[3,2-b]pyridin-6-yl)ethanone is sourced from PubChem (CID 20594199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).