2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine

C8H3F4N3S — CID 103749944

IUPAC2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine
SMILESFc1nc(F)c(F)c(Sc2ncc[nH]2)c1F
InChIInChI=1S/C8H3F4N3S/c9-3-5(16-8-13-1-2-14-8)4(10)7(12)15-6(3)11/h1-2H,(H,13,14)
InChIKeyIXYGEDDRVPNWCJ-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.51
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine

2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine (PubChem CID 103749944) has the molecular formula C8H3F4N3S and a molecular weight of 249.19 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine
PubChem CID103749944
Molecular FormulaC8H3F4N3S
Molecular Weight249.19 g/mol
Exact Mass249.00
IUPAC Name2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine
SMILESFc1nc(F)c(F)c(Sc2ncc[nH]2)c1F
InChIInChI=1S/C8H3F4N3S/c9-3-5(16-8-13-1-2-14-8)4(10)7(12)15-6(3)11/h1-2H,(H,13,14)
InChIKeyIXYGEDDRVPNWCJ-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine (CID 103749944) is 2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine is Fc1nc(F)c(F)c(Sc2ncc[nH]2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine?
The InChIKey is IXYGEDDRVPNWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F4N3S/c9-3-5(16-8-13-1-2-14-8)4(10)7(12)15-6(3)11/h1-2H,(H,13,14).
What are the key properties of 2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine?
2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine has a molecular weight of 249.19 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(1H-imidazol-2-ylsulfanyl)pyridine is sourced from PubChem (CID 103749944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).