4-chlorothieno[3,2-c]pyridine

C7H4ClNS — CID 12827312

IUPAC4-chlorothieno[3,2-c]pyridine
SMILESClc1nccc2sccc12
InChIInChI=1S/C7H4ClNS/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKeyVFPFMOXMHVQFNR-UHFFFAOYSA-N
MW169.64 g/mol
LogP2.95
Rot. Bonds

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

4-chlorothieno[3,2-c]pyridine (PubChem CID 12827312) has the molecular formula C7H4ClNS and a molecular weight of 169.64 g/mol. Its IUPAC name is 4-chlorothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-chlorothieno[3,2-c]pyridine
PubChem CID12827312
Molecular FormulaC7H4ClNS
Molecular Weight169.64 g/mol
Exact Mass168.98
IUPAC Name4-chlorothieno[3,2-c]pyridine
SMILESClc1nccc2sccc12
InChIInChI=1S/C7H4ClNS/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKeyVFPFMOXMHVQFNR-UHFFFAOYSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.64
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chlorothieno[3,2-c]pyridine?
The IUPAC name of 4-chlorothieno[3,2-c]pyridine (CID 12827312) is 4-chlorothieno[3,2-c]pyridine.
What is the SMILES notation for 4-chlorothieno[3,2-c]pyridine?
The canonical SMILES for 4-chlorothieno[3,2-c]pyridine is Clc1nccc2sccc12.
What is the InChIKey of 4-chlorothieno[3,2-c]pyridine?
The InChIKey is VFPFMOXMHVQFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNS/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H.
What are the key properties of 4-chlorothieno[3,2-c]pyridine?
4-chlorothieno[3,2-c]pyridine has a molecular weight of 169.64 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothieno[3,2-c]pyridine is sourced from PubChem (CID 12827312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).