5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one

C12H10FNO2S — CID 71187154

IUPAC5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(SCc2cccc(F)c2)cc1O
InChIInChI=1S/C12H10FNO2S/c13-9-3-1-2-8(4-9)7-17-10-5-11(15)12(16)14-6-10/h1-6,15H,7H2,(H,14,16)
InChIKeyQPQAHENSLOGZHZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.51
Rot. Bonds3

About 5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one

5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one (PubChem CID 71187154) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one
PubChem CID71187154
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(SCc2cccc(F)c2)cc1O
InChIInChI=1S/C12H10FNO2S/c13-9-3-1-2-8(4-9)7-17-10-5-11(15)12(16)14-6-10/h1-6,15H,7H2,(H,14,16)
InChIKeyQPQAHENSLOGZHZ-UHFFFAOYSA-N
XLogP2.51
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one (CID 71187154) is 5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(SCc2cccc(F)c2)cc1O.
What is the InChIKey of 5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
The InChIKey is QPQAHENSLOGZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-9-3-1-2-8(4-9)7-17-10-5-11(15)12(16)14-6-10/h1-6,15H,7H2,(H,14,16).
What are the key properties of 5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one has a molecular weight of 251.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 71187154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).