3,5,7-trichlorothieno[3,2-b]pyridine

C7H2Cl3NS — CID 154681206

IUPAC3,5,7-trichlorothieno[3,2-b]pyridine
SMILESClc1cc(Cl)c2scc(Cl)c2n1
InChIInChI=1S/C7H2Cl3NS/c8-3-1-5(10)11-6-4(9)2-12-7(3)6/h1-2H
InChIKeyNICFXLUOWKFSRW-UHFFFAOYSA-N
MW238.53 g/mol
LogP4.26
Rot. Bonds

About 3,5,7-trichlorothieno[3,2-b]pyridine

3,5,7-trichlorothieno[3,2-b]pyridine (PubChem CID 154681206) has the molecular formula C7H2Cl3NS and a molecular weight of 238.53 g/mol. Its IUPAC name is 3,5,7-trichlorothieno[3,2-b]pyridine.

Molecular Properties

Compound Name3,5,7-trichlorothieno[3,2-b]pyridine
PubChem CID154681206
Molecular FormulaC7H2Cl3NS
Molecular Weight238.53 g/mol
Exact Mass236.90
IUPAC Name3,5,7-trichlorothieno[3,2-b]pyridine
SMILESClc1cc(Cl)c2scc(Cl)c2n1
InChIInChI=1S/C7H2Cl3NS/c8-3-1-5(10)11-6-4(9)2-12-7(3)6/h1-2H
InChIKeyNICFXLUOWKFSRW-UHFFFAOYSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.53
LogP ≤ 54.26
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 3,5,7-trichlorothieno[3,2-b]pyridine?
The IUPAC name of 3,5,7-trichlorothieno[3,2-b]pyridine (CID 154681206) is 3,5,7-trichlorothieno[3,2-b]pyridine.
What is the SMILES notation for 3,5,7-trichlorothieno[3,2-b]pyridine?
The canonical SMILES for 3,5,7-trichlorothieno[3,2-b]pyridine is Clc1cc(Cl)c2scc(Cl)c2n1.
What is the InChIKey of 3,5,7-trichlorothieno[3,2-b]pyridine?
The InChIKey is NICFXLUOWKFSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3NS/c8-3-1-5(10)11-6-4(9)2-12-7(3)6/h1-2H.
What are the key properties of 3,5,7-trichlorothieno[3,2-b]pyridine?
3,5,7-trichlorothieno[3,2-b]pyridine has a molecular weight of 238.53 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trichlorothieno[3,2-b]pyridine is sourced from PubChem (CID 154681206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).