2-fluoro-6-(3-methoxypropylsulfanyl)pyridine

C9H12FNOS — CID 63856298

IUPAC2-fluoro-6-(3-methoxypropylsulfanyl)pyridine
SMILESCOCCCSc1cccc(F)n1
InChIInChI=1S/C9H12FNOS/c1-12-6-3-7-13-9-5-2-4-8(10)11-9/h2,4-5H,3,6-7H2,1H3
InChIKeyHQCXBOUXGXDVAB-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.35
Rot. Bonds5

About 2-fluoro-6-(3-methoxypropylsulfanyl)pyridine

2-fluoro-6-(3-methoxypropylsulfanyl)pyridine (PubChem CID 63856298) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-fluoro-6-(3-methoxypropylsulfanyl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(3-methoxypropylsulfanyl)pyridine
PubChem CID63856298
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name2-fluoro-6-(3-methoxypropylsulfanyl)pyridine
SMILESCOCCCSc1cccc(F)n1
InChIInChI=1S/C9H12FNOS/c1-12-6-3-7-13-9-5-2-4-8(10)11-9/h2,4-5H,3,6-7H2,1H3
InChIKeyHQCXBOUXGXDVAB-UHFFFAOYSA-N
XLogP2.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-methoxypropylsulfanyl)pyridine?
The IUPAC name of 2-fluoro-6-(3-methoxypropylsulfanyl)pyridine (CID 63856298) is 2-fluoro-6-(3-methoxypropylsulfanyl)pyridine.
What is the SMILES notation for 2-fluoro-6-(3-methoxypropylsulfanyl)pyridine?
The canonical SMILES for 2-fluoro-6-(3-methoxypropylsulfanyl)pyridine is COCCCSc1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-(3-methoxypropylsulfanyl)pyridine?
The InChIKey is HQCXBOUXGXDVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-12-6-3-7-13-9-5-2-4-8(10)11-9/h2,4-5H,3,6-7H2,1H3.
What are the key properties of 2-fluoro-6-(3-methoxypropylsulfanyl)pyridine?
2-fluoro-6-(3-methoxypropylsulfanyl)pyridine has a molecular weight of 201.27 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-methoxypropylsulfanyl)pyridine is sourced from PubChem (CID 63856298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).