2-fluoro-6-(oxan-4-ylsulfanyl)pyridine

C10H12FNOS — CID 62995902

IUPAC2-fluoro-6-(oxan-4-ylsulfanyl)pyridine
SMILESFc1cccc(SC2CCOCC2)n1
InChIInChI=1S/C10H12FNOS/c11-9-2-1-3-10(12-9)14-8-4-6-13-7-5-8/h1-3,8H,4-7H2
InChIKeyQWCDMQLSVYJZQR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.49
Rot. Bonds2

About 2-fluoro-6-(oxan-4-ylsulfanyl)pyridine

2-fluoro-6-(oxan-4-ylsulfanyl)pyridine (PubChem CID 62995902) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-fluoro-6-(oxan-4-ylsulfanyl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(oxan-4-ylsulfanyl)pyridine
PubChem CID62995902
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name2-fluoro-6-(oxan-4-ylsulfanyl)pyridine
SMILESFc1cccc(SC2CCOCC2)n1
InChIInChI=1S/C10H12FNOS/c11-9-2-1-3-10(12-9)14-8-4-6-13-7-5-8/h1-3,8H,4-7H2
InChIKeyQWCDMQLSVYJZQR-UHFFFAOYSA-N
XLogP2.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
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-fluoro-6-(oxan-4-ylsulfanyl)pyridine?
The IUPAC name of 2-fluoro-6-(oxan-4-ylsulfanyl)pyridine (CID 62995902) is 2-fluoro-6-(oxan-4-ylsulfanyl)pyridine.
What is the SMILES notation for 2-fluoro-6-(oxan-4-ylsulfanyl)pyridine?
The canonical SMILES for 2-fluoro-6-(oxan-4-ylsulfanyl)pyridine is Fc1cccc(SC2CCOCC2)n1.
What is the InChIKey of 2-fluoro-6-(oxan-4-ylsulfanyl)pyridine?
The InChIKey is QWCDMQLSVYJZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c11-9-2-1-3-10(12-9)14-8-4-6-13-7-5-8/h1-3,8H,4-7H2.
What are the key properties of 2-fluoro-6-(oxan-4-ylsulfanyl)pyridine?
2-fluoro-6-(oxan-4-ylsulfanyl)pyridine has a molecular weight of 213.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(oxan-4-ylsulfanyl)pyridine is sourced from PubChem (CID 62995902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).