2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine

C23H15F2NS3 — CID 71337252

IUPAC2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine
SMILESFc1nc(Sc2ccccc2)c(Sc2ccccc2)c(Sc2ccccc2)c1F
InChIInChI=1S/C23H15F2NS3/c24-19-20(27-16-10-4-1-5-11-16)21(28-17-12-6-2-7-13-17)23(26-22(19)25)29-18-14-8-3-9-15-18/h1-15H
InChIKeyJOSRUQVEOIRNOC-UHFFFAOYSA-N
MW439.58 g/mol
LogP7.81
Rot. Bonds6

About 2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine

2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine (PubChem CID 71337252) has the molecular formula C23H15F2NS3 and a molecular weight of 439.58 g/mol. Its IUPAC name is 2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine.

Molecular Properties

Compound Name2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine
PubChem CID71337252
Molecular FormulaC23H15F2NS3
Molecular Weight439.58 g/mol
Exact Mass439.03
IUPAC Name2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine
SMILESFc1nc(Sc2ccccc2)c(Sc2ccccc2)c(Sc2ccccc2)c1F
InChIInChI=1S/C23H15F2NS3/c24-19-20(27-16-10-4-1-5-11-16)21(28-17-12-6-2-7-13-17)23(26-22(19)25)29-18-14-8-3-9-15-18/h1-15H
InChIKeyJOSRUQVEOIRNOC-UHFFFAOYSA-N
XLogP7.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-difluoro-4,5,6-tris(phenylsulfanyl)pyridine?
The IUPAC name of 2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine (CID 71337252) is 2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine.
What is the SMILES notation for 2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine?
The canonical SMILES for 2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine is Fc1nc(Sc2ccccc2)c(Sc2ccccc2)c(Sc2ccccc2)c1F.
What is the InChIKey of 2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine?
The InChIKey is JOSRUQVEOIRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NS3/c24-19-20(27-16-10-4-1-5-11-16)21(28-17-12-6-2-7-13-17)23(26-22(19)25)29-18-14-8-3-9-15-18/h1-15H.
What are the key properties of 2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine?
2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine has a molecular weight of 439.58 g/mol, XLogP of 7.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine is sourced from PubChem (CID 71337252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).