2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine

C11H2Cl7FN2S2 — CID 126709824

IUPAC2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine
SMILESFc1nc(Cl)c(Cl)c(SCSc2nc(Cl)c(Cl)c(Cl)c2Cl)c1Cl
InChIInChI=1S/C11H2Cl7FN2S2/c12-2-3(13)8(17)21-11(4(2)14)23-1-22-7-5(15)9(18)20-10(19)6(7)16/h1H2
InChIKeyRFQHQEJGOKREAS-UHFFFAOYSA-N
MW493.45 g/mol
LogP8.03
Rot. Bonds4

About 2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine

2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine (PubChem CID 126709824) has the molecular formula C11H2Cl7FN2S2 and a molecular weight of 493.45 g/mol. Its IUPAC name is 2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine.

Molecular Properties

Compound Name2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine
PubChem CID126709824
Molecular FormulaC11H2Cl7FN2S2
Molecular Weight493.45 g/mol
Exact Mass489.75
IUPAC Name2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine
SMILESFc1nc(Cl)c(Cl)c(SCSc2nc(Cl)c(Cl)c(Cl)c2Cl)c1Cl
InChIInChI=1S/C11H2Cl7FN2S2/c12-2-3(13)8(17)21-11(4(2)14)23-1-22-7-5(15)9(18)20-10(19)6(7)16/h1H2
InChIKeyRFQHQEJGOKREAS-UHFFFAOYSA-N
XLogP8.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.45
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine?
The IUPAC name of 2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine (CID 126709824) is 2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine.
What is the SMILES notation for 2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine?
The canonical SMILES for 2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine is Fc1nc(Cl)c(Cl)c(SCSc2nc(Cl)c(Cl)c(Cl)c2Cl)c1Cl.
What is the InChIKey of 2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine?
The InChIKey is RFQHQEJGOKREAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H2Cl7FN2S2/c12-2-3(13)8(17)21-11(4(2)14)23-1-22-7-5(15)9(18)20-10(19)6(7)16/h1H2.
What are the key properties of 2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine?
2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine has a molecular weight of 493.45 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine is sourced from PubChem (CID 126709824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).