1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one

C15H14FNO2S — CID 70338913

IUPAC1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(F)cnc1Oc1cccc(SC)c1
InChIInChI=1S/C15H14FNO2S/c1-3-14(18)13-7-10(16)9-17-15(13)19-11-5-4-6-12(8-11)20-2/h4-9H,3H2,1-2H3
InChIKeyADTMOKNJOAKAEK-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.33
Rot. Bonds5

About 1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one

1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one (PubChem CID 70338913) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one
PubChem CID70338913
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(F)cnc1Oc1cccc(SC)c1
InChIInChI=1S/C15H14FNO2S/c1-3-14(18)13-7-10(16)9-17-15(13)19-11-5-4-6-12(8-11)20-2/h4-9H,3H2,1-2H3
InChIKeyADTMOKNJOAKAEK-UHFFFAOYSA-N
XLogP4.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one (CID 70338913) is 1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one is CCC(=O)c1cc(F)cnc1Oc1cccc(SC)c1.
What is the InChIKey of 1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one?
The InChIKey is ADTMOKNJOAKAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-3-14(18)13-7-10(16)9-17-15(13)19-11-5-4-6-12(8-11)20-2/h4-9H,3H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one?
1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one has a molecular weight of 291.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 70338913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).