5-fluoro-2-methoxy-4-methylsulfanylpyridine

C7H8FNOS — CID 147316298

IUPAC5-fluoro-2-methoxy-4-methylsulfanylpyridine
SMILESCOc1cc(SC)c(F)cn1
InChIInChI=1S/C7H8FNOS/c1-10-7-3-6(11-2)5(8)4-9-7/h3-4H,1-2H3
InChIKeyCYXWUKUBPDWUDI-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.95
Rot. Bonds2

About 5-fluoro-2-methoxy-4-methylsulfanylpyridine

5-fluoro-2-methoxy-4-methylsulfanylpyridine (PubChem CID 147316298) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-methylsulfanylpyridine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-methylsulfanylpyridine
PubChem CID147316298
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name5-fluoro-2-methoxy-4-methylsulfanylpyridine
SMILESCOc1cc(SC)c(F)cn1
InChIInChI=1S/C7H8FNOS/c1-10-7-3-6(11-2)5(8)4-9-7/h3-4H,1-2H3
InChIKeyCYXWUKUBPDWUDI-UHFFFAOYSA-N
XLogP1.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-methylsulfanylpyridine?
The IUPAC name of 5-fluoro-2-methoxy-4-methylsulfanylpyridine (CID 147316298) is 5-fluoro-2-methoxy-4-methylsulfanylpyridine.
What is the SMILES notation for 5-fluoro-2-methoxy-4-methylsulfanylpyridine?
The canonical SMILES for 5-fluoro-2-methoxy-4-methylsulfanylpyridine is COc1cc(SC)c(F)cn1.
What is the InChIKey of 5-fluoro-2-methoxy-4-methylsulfanylpyridine?
The InChIKey is CYXWUKUBPDWUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c1-10-7-3-6(11-2)5(8)4-9-7/h3-4H,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-4-methylsulfanylpyridine?
5-fluoro-2-methoxy-4-methylsulfanylpyridine has a molecular weight of 173.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-methylsulfanylpyridine is sourced from PubChem (CID 147316298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).