4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine

C11H4BrF4NS — CID 53349974

IUPAC4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine
SMILESFc1nc(F)c(F)c(Sc2ccccc2Br)c1F
InChIInChI=1S/C11H4BrF4NS/c12-5-3-1-2-4-6(5)18-9-7(13)10(15)17-11(16)8(9)14/h1-4H
InChIKeyALYJZUQWPBMDFA-UHFFFAOYSA-N
MW338.12 g/mol
LogP4.55
Rot. Bonds2

About 4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine

4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine (PubChem CID 53349974) has the molecular formula C11H4BrF4NS and a molecular weight of 338.12 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine
PubChem CID53349974
Molecular FormulaC11H4BrF4NS
Molecular Weight338.12 g/mol
Exact Mass336.92
IUPAC Name4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine
SMILESFc1nc(F)c(F)c(Sc2ccccc2Br)c1F
InChIInChI=1S/C11H4BrF4NS/c12-5-3-1-2-4-6(5)18-9-7(13)10(15)17-11(16)8(9)14/h1-4H
InChIKeyALYJZUQWPBMDFA-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine?
The IUPAC name of 4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine (CID 53349974) is 4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine.
What is the SMILES notation for 4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine?
The canonical SMILES for 4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine is Fc1nc(F)c(F)c(Sc2ccccc2Br)c1F.
What is the InChIKey of 4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine?
The InChIKey is ALYJZUQWPBMDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrF4NS/c12-5-3-1-2-4-6(5)18-9-7(13)10(15)17-11(16)8(9)14/h1-4H.
What are the key properties of 4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine?
4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine has a molecular weight of 338.12 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfanyl-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 53349974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).