5-chlorothieno[2,3-c]pyridine-4-carbaldehyde

C8H4ClNOS — CID 71369918

IUPAC5-chlorothieno[2,3-c]pyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)ncc2sccc12
InChIInChI=1S/C8H4ClNOS/c9-8-6(4-11)5-1-2-12-7(5)3-10-8/h1-4H
InChIKeyMOICBJCEBDRYAW-UHFFFAOYSA-N
MW197.65 g/mol
LogP2.76
Rot. Bonds1

About 5-chlorothieno[2,3-c]pyridine-4-carbaldehyde

5-chlorothieno[2,3-c]pyridine-4-carbaldehyde (PubChem CID 71369918) has the molecular formula C8H4ClNOS and a molecular weight of 197.65 g/mol. Its IUPAC name is 5-chlorothieno[2,3-c]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-chlorothieno[2,3-c]pyridine-4-carbaldehyde
PubChem CID71369918
Molecular FormulaC8H4ClNOS
Molecular Weight197.65 g/mol
Exact Mass196.97
IUPAC Name5-chlorothieno[2,3-c]pyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)ncc2sccc12
InChIInChI=1S/C8H4ClNOS/c9-8-6(4-11)5-1-2-12-7(5)3-10-8/h1-4H
InChIKeyMOICBJCEBDRYAW-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chlorothieno[2,3-c]pyridine-4-carbaldehyde?
The IUPAC name of 5-chlorothieno[2,3-c]pyridine-4-carbaldehyde (CID 71369918) is 5-chlorothieno[2,3-c]pyridine-4-carbaldehyde.
What is the SMILES notation for 5-chlorothieno[2,3-c]pyridine-4-carbaldehyde?
The canonical SMILES for 5-chlorothieno[2,3-c]pyridine-4-carbaldehyde is O=Cc1c(Cl)ncc2sccc12.
What is the InChIKey of 5-chlorothieno[2,3-c]pyridine-4-carbaldehyde?
The InChIKey is MOICBJCEBDRYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNOS/c9-8-6(4-11)5-1-2-12-7(5)3-10-8/h1-4H.
What are the key properties of 5-chlorothieno[2,3-c]pyridine-4-carbaldehyde?
5-chlorothieno[2,3-c]pyridine-4-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 5-chlorothieno[2,3-c]pyridine-4-carbaldehyde is sourced from PubChem (CID 71369918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).