2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine

C8H4Cl3N3S — CID 107780767

IUPAC2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine
SMILESClc1cc(Cl)c(Sc2ncc[nH]2)nc1Cl
InChIInChI=1S/C8H4Cl3N3S/c9-4-3-5(10)7(14-6(4)11)15-8-12-1-2-13-8/h1-3H,(H,12,13)
InChIKeyQOHKUTLXSNXFPM-UHFFFAOYSA-N
MW280.57 g/mol
LogP3.92
Rot. Bonds2

About 2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine

2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine (PubChem CID 107780767) has the molecular formula C8H4Cl3N3S and a molecular weight of 280.57 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine
PubChem CID107780767
Molecular FormulaC8H4Cl3N3S
Molecular Weight280.57 g/mol
Exact Mass278.92
IUPAC Name2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine
SMILESClc1cc(Cl)c(Sc2ncc[nH]2)nc1Cl
InChIInChI=1S/C8H4Cl3N3S/c9-4-3-5(10)7(14-6(4)11)15-8-12-1-2-13-8/h1-3H,(H,12,13)
InChIKeyQOHKUTLXSNXFPM-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine (CID 107780767) is 2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine is Clc1cc(Cl)c(Sc2ncc[nH]2)nc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine?
The InChIKey is QOHKUTLXSNXFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3N3S/c9-4-3-5(10)7(14-6(4)11)15-8-12-1-2-13-8/h1-3H,(H,12,13).
What are the key properties of 2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine?
2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine has a molecular weight of 280.57 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine is sourced from PubChem (CID 107780767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).