3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine

C11H2Cl4F4N2S2 — CID 126709819

IUPAC3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine
SMILESFc1nc(F)c(Cl)c(SCSc2c(Cl)c(F)nc(F)c2Cl)c1Cl
InChIInChI=1S/C11H2Cl4F4N2S2/c12-2-6(3(13)9(17)20-8(2)16)22-1-23-7-4(14)10(18)21-11(19)5(7)15/h1H2
InChIKeyAPFGYDWTPPGEDM-UHFFFAOYSA-N
MW444.09 g/mol
LogP6.49
Rot. Bonds4

About 3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine

3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine (PubChem CID 126709819) has the molecular formula C11H2Cl4F4N2S2 and a molecular weight of 444.09 g/mol. Its IUPAC name is 3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine.

Molecular Properties

Compound Name3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine
PubChem CID126709819
Molecular FormulaC11H2Cl4F4N2S2
Molecular Weight444.09 g/mol
Exact Mass441.83
IUPAC Name3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine
SMILESFc1nc(F)c(Cl)c(SCSc2c(Cl)c(F)nc(F)c2Cl)c1Cl
InChIInChI=1S/C11H2Cl4F4N2S2/c12-2-6(3(13)9(17)20-8(2)16)22-1-23-7-4(14)10(18)21-11(19)5(7)15/h1H2
InChIKeyAPFGYDWTPPGEDM-UHFFFAOYSA-N
XLogP6.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.09
LogP ≤ 56.49
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 3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine?
The IUPAC name of 3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine (CID 126709819) is 3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine.
What is the SMILES notation for 3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine?
The canonical SMILES for 3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine is Fc1nc(F)c(Cl)c(SCSc2c(Cl)c(F)nc(F)c2Cl)c1Cl.
What is the InChIKey of 3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine?
The InChIKey is APFGYDWTPPGEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H2Cl4F4N2S2/c12-2-6(3(13)9(17)20-8(2)16)22-1-23-7-4(14)10(18)21-11(19)5(7)15/h1H2.
What are the key properties of 3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine?
3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine has a molecular weight of 444.09 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)sulfanylmethylsulfanyl]-2,6-difluoropyridine is sourced from PubChem (CID 126709819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).