2-(4-bromophenyl)sulfanyl-6-fluoropyridine

C11H7BrFNS — CID 61229959

IUPAC2-(4-bromophenyl)sulfanyl-6-fluoropyridine
SMILESFc1cccc(Sc2ccc(Br)cc2)n1
InChIInChI=1S/C11H7BrFNS/c12-8-4-6-9(7-5-8)15-11-3-1-2-10(13)14-11/h1-7H
InChIKeyNBXGTTIYUNLDET-UHFFFAOYSA-N
MW284.15 g/mol
LogP4.13
Rot. Bonds2

About 2-(4-bromophenyl)sulfanyl-6-fluoropyridine

2-(4-bromophenyl)sulfanyl-6-fluoropyridine (PubChem CID 61229959) has the molecular formula C11H7BrFNS and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-6-fluoropyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-6-fluoropyridine
PubChem CID61229959
Molecular FormulaC11H7BrFNS
Molecular Weight284.15 g/mol
Exact Mass282.95
IUPAC Name2-(4-bromophenyl)sulfanyl-6-fluoropyridine
SMILESFc1cccc(Sc2ccc(Br)cc2)n1
InChIInChI=1S/C11H7BrFNS/c12-8-4-6-9(7-5-8)15-11-3-1-2-10(13)14-11/h1-7H
InChIKeyNBXGTTIYUNLDET-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 54.13
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-(4-bromophenyl)sulfanyl-6-fluoropyridine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-6-fluoropyridine (CID 61229959) is 2-(4-bromophenyl)sulfanyl-6-fluoropyridine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-6-fluoropyridine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-6-fluoropyridine is Fc1cccc(Sc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-6-fluoropyridine?
The InChIKey is NBXGTTIYUNLDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNS/c12-8-4-6-9(7-5-8)15-11-3-1-2-10(13)14-11/h1-7H.
What are the key properties of 2-(4-bromophenyl)sulfanyl-6-fluoropyridine?
2-(4-bromophenyl)sulfanyl-6-fluoropyridine has a molecular weight of 284.15 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-6-fluoropyridine is sourced from PubChem (CID 61229959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).