7-chlorothieno[3,2-b]pyridine-2-carbaldehyde

C8H4ClNOS — CID 50988849

IUPAC7-chlorothieno[3,2-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2nccc(Cl)c2s1
InChIInChI=1S/C8H4ClNOS/c9-6-1-2-10-7-3-5(4-11)12-8(6)7/h1-4H
InChIKeyGCOQDKNKQAPKGU-UHFFFAOYSA-N
MW197.65 g/mol
LogP2.76
Rot. Bonds1

About 7-chlorothieno[3,2-b]pyridine-2-carbaldehyde

7-chlorothieno[3,2-b]pyridine-2-carbaldehyde (PubChem CID 50988849) has the molecular formula C8H4ClNOS and a molecular weight of 197.65 g/mol. Its IUPAC name is 7-chlorothieno[3,2-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name7-chlorothieno[3,2-b]pyridine-2-carbaldehyde
PubChem CID50988849
Molecular FormulaC8H4ClNOS
Molecular Weight197.65 g/mol
Exact Mass196.97
IUPAC Name7-chlorothieno[3,2-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2nccc(Cl)c2s1
InChIInChI=1S/C8H4ClNOS/c9-6-1-2-10-7-3-5(4-11)12-8(6)7/h1-4H
InChIKeyGCOQDKNKQAPKGU-UHFFFAOYSA-N
XLogP2.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.65
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 7-chlorothieno[3,2-b]pyridine-2-carbaldehyde 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 7-chlorothieno[3,2-b]pyridine-2-carbaldehyde?
The IUPAC name of 7-chlorothieno[3,2-b]pyridine-2-carbaldehyde (CID 50988849) is 7-chlorothieno[3,2-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 7-chlorothieno[3,2-b]pyridine-2-carbaldehyde?
The canonical SMILES for 7-chlorothieno[3,2-b]pyridine-2-carbaldehyde is O=Cc1cc2nccc(Cl)c2s1.
What is the InChIKey of 7-chlorothieno[3,2-b]pyridine-2-carbaldehyde?
The InChIKey is GCOQDKNKQAPKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNOS/c9-6-1-2-10-7-3-5(4-11)12-8(6)7/h1-4H.
What are the key properties of 7-chlorothieno[3,2-b]pyridine-2-carbaldehyde?
7-chlorothieno[3,2-b]pyridine-2-carbaldehyde has a molecular weight of 197.65 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorothieno[3,2-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 50988849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).