1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone

C13H10FNO2S — CID 43654803

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)c1cc(F)ccc1O
InChIInChI=1S/C13H10FNO2S/c14-9-4-5-11(16)10(7-9)12(17)8-18-13-3-1-2-6-15-13/h1-7,16H,8H2
InChIKeySYQHXUFEGOYMOQ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.90
Rot. Bonds4

About 1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone

1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 43654803) has the molecular formula C13H10FNO2S and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone
PubChem CID43654803
Molecular FormulaC13H10FNO2S
Molecular Weight263.29 g/mol
Exact Mass263.04
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)c1cc(F)ccc1O
InChIInChI=1S/C13H10FNO2S/c14-9-4-5-11(16)10(7-9)12(17)8-18-13-3-1-2-6-15-13/h1-7,16H,8H2
InChIKeySYQHXUFEGOYMOQ-UHFFFAOYSA-N
XLogP2.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone (CID 43654803) is 1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone is O=C(CSc1ccccn1)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is SYQHXUFEGOYMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2S/c14-9-4-5-11(16)10(7-9)12(17)8-18-13-3-1-2-6-15-13/h1-7,16H,8H2.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 263.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 43654803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).