2-bromo-6-(4-fluorophenyl)sulfinylpyridine

C11H7BrFNOS — CID 134955805

IUPAC2-bromo-6-(4-fluorophenyl)sulfinylpyridine
SMILESO=S(c1ccc(F)cc1)c1cccc(Br)n1
InChIInChI=1S/C11H7BrFNOS/c12-10-2-1-3-11(14-10)16(15)9-6-4-8(13)5-7-9/h1-7H
InChIKeyFKSDSBKJKDESHR-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.15
Rot. Bonds2

About 2-bromo-6-(4-fluorophenyl)sulfinylpyridine

2-bromo-6-(4-fluorophenyl)sulfinylpyridine (PubChem CID 134955805) has the molecular formula C11H7BrFNOS and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-bromo-6-(4-fluorophenyl)sulfinylpyridine.

Molecular Properties

Compound Name2-bromo-6-(4-fluorophenyl)sulfinylpyridine
PubChem CID134955805
Molecular FormulaC11H7BrFNOS
Molecular Weight300.15 g/mol
Exact Mass298.94
IUPAC Name2-bromo-6-(4-fluorophenyl)sulfinylpyridine
SMILESO=S(c1ccc(F)cc1)c1cccc(Br)n1
InChIInChI=1S/C11H7BrFNOS/c12-10-2-1-3-11(14-10)16(15)9-6-4-8(13)5-7-9/h1-7H
InChIKeyFKSDSBKJKDESHR-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.15
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 2-bromo-6-(4-fluorophenyl)sulfinylpyridine?
The IUPAC name of 2-bromo-6-(4-fluorophenyl)sulfinylpyridine (CID 134955805) is 2-bromo-6-(4-fluorophenyl)sulfinylpyridine.
What is the SMILES notation for 2-bromo-6-(4-fluorophenyl)sulfinylpyridine?
The canonical SMILES for 2-bromo-6-(4-fluorophenyl)sulfinylpyridine is O=S(c1ccc(F)cc1)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(4-fluorophenyl)sulfinylpyridine?
The InChIKey is FKSDSBKJKDESHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNOS/c12-10-2-1-3-11(14-10)16(15)9-6-4-8(13)5-7-9/h1-7H.
What are the key properties of 2-bromo-6-(4-fluorophenyl)sulfinylpyridine?
2-bromo-6-(4-fluorophenyl)sulfinylpyridine has a molecular weight of 300.15 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-fluorophenyl)sulfinylpyridine is sourced from PubChem (CID 134955805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).