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

C10Cl8N2S2 — CID 556658

IUPAC2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine
SMILESClc1nc(SSc2nc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C10Cl8N2S2/c11-1-3(13)7(17)19-9(5(1)15)21-22-10-6(16)2(12)4(14)8(18)20-10
InChIKeyZCWPPTRLOQMXGD-UHFFFAOYSA-N
MW495.88 g/mol
LogP8.50
Rot. Bonds3

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

2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine (PubChem CID 556658) has the molecular formula C10Cl8N2S2 and a molecular weight of 495.88 g/mol. Its IUPAC name is 2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine.

Molecular Properties

Compound Name2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine
PubChem CID556658
Molecular FormulaC10Cl8N2S2
Molecular Weight495.88 g/mol
Exact Mass491.70
IUPAC Name2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine
SMILESClc1nc(SSc2nc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C10Cl8N2S2/c11-1-3(13)7(17)19-9(5(1)15)21-22-10-6(16)2(12)4(14)8(18)20-10
InChIKeyZCWPPTRLOQMXGD-UHFFFAOYSA-N
XLogP8.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.88
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine?
The IUPAC name of 2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine (CID 556658) is 2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine.
What is the SMILES notation for 2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine?
The canonical SMILES for 2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine is Clc1nc(SSc2nc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine?
The InChIKey is ZCWPPTRLOQMXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl8N2S2/c11-1-3(13)7(17)19-9(5(1)15)21-22-10-6(16)2(12)4(14)8(18)20-10.
What are the key properties of 2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine?
2,3,4,5-tetrachloro-6-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine has a molecular weight of 495.88 g/mol, XLogP of 8.50, 3 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-[(3,4,5,6-tetrachloro-2-pyridinyl)disulfanyl]pyridine is sourced from PubChem (CID 556658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).