2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine

C10Cl8N2S — CID 12580108

IUPAC2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine
SMILESClc1nc(Cl)c(Cl)c(Sc2c(Cl)c(Cl)nc(Cl)c2Cl)c1Cl
InChIInChI=1S/C10Cl8N2S/c11-1-5(2(12)8(16)19-7(1)15)21-6-3(13)9(17)20-10(18)4(6)14
InChIKeyGJZRLTUZBGLKIL-UHFFFAOYSA-N
MW463.82 g/mol
LogP7.86
Rot. Bonds2

About 2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine

2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine (PubChem CID 12580108) has the molecular formula C10Cl8N2S and a molecular weight of 463.82 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine
PubChem CID12580108
Molecular FormulaC10Cl8N2S
Molecular Weight463.82 g/mol
Exact Mass459.73
IUPAC Name2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine
SMILESClc1nc(Cl)c(Cl)c(Sc2c(Cl)c(Cl)nc(Cl)c2Cl)c1Cl
InChIInChI=1S/C10Cl8N2S/c11-1-5(2(12)8(16)19-7(1)15)21-6-3(13)9(17)20-10(18)4(6)14
InChIKeyGJZRLTUZBGLKIL-UHFFFAOYSA-N
XLogP7.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.82
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-Tetrachloro-4-(methylsulfinyl) pyridine
CID 57488627
2,3,5,6-Tetrachloro-4-(methylthio)pyridine
CID 89946
Pyridine, 2,3,5,6-tetrachloro-4-(ethylthio)-
CID 56842266
2,3,5,6-Tetrachloro-4-trifluoromethylthiopyridine
CID 14568470
4-Chloromethylthio-2,3,5,6-tetrachloropyridine
CID 129784316
Pyridine, 2,3,5,6-tetrachloro-4-(propylthio)-
CID 87918
2,3,4,5-Tetrachloro-6-[(3,4,5,6-tetrachloropyridin-2-yl)disulfanyl]pyridine
CID 556658
2,3,5,6-Tetrachloro-4-(chlorosulfanyl)pyridine
CID 12538975
3,4,5,6-Tetrachloro-2-(methylthio)pyridine
CID 73172673
3-Chloro-2,5,6-trifluoro-4-[(2,4,5,6-tetrafluoro-3-pyridinyl)sulfanylmethylsulfanyl]pyridine
CID 126709818
3,5-Dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine
CID 126709819
2,3,4,5-Tetrachloro-6-[(2,3,5-trichloro-6-fluoro-4-pyridinyl)sulfanylmethylsulfanyl]pyridine
CID 126709824

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine?
The IUPAC name of 2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine (CID 12580108) is 2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine.
What is the SMILES notation for 2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine?
The canonical SMILES for 2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine is Clc1nc(Cl)c(Cl)c(Sc2c(Cl)c(Cl)nc(Cl)c2Cl)c1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine?
The InChIKey is GJZRLTUZBGLKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl8N2S/c11-1-5(2(12)8(16)19-7(1)15)21-6-3(13)9(17)20-10(18)4(6)14.
What are the key properties of 2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine?
2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine has a molecular weight of 463.82 g/mol, XLogP of 7.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrachloro-4-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]pyridine is sourced from PubChem (CID 12580108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).