1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone

C13H10FNOS — CID 868034

IUPAC1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C13H10FNOS/c14-11-6-4-10(5-7-11)12(16)9-17-13-3-1-2-8-15-13/h1-8H,9H2
InChIKeyUFEDGNOFTXHLIN-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.20
Rot. Bonds4

About 1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone

1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 868034) has the molecular formula C13H10FNOS and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone
PubChem CID868034
Molecular FormulaC13H10FNOS
Molecular Weight247.29 g/mol
Exact Mass247.05
IUPAC Name1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C13H10FNOS/c14-11-6-4-10(5-7-11)12(16)9-17-13-3-1-2-8-15-13/h1-8H,9H2
InChIKeyUFEDGNOFTXHLIN-UHFFFAOYSA-N
XLogP3.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzoylpyridine
CID 26731
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
2-pyridin-2-yl-4H-1,3-benzothiazin-4-one
CID 9837640
1-Phenyl-3-{[5-(trifluoromethyl)-2-pyridyl]thio}prop-2-en-1-one
CID 5375721
1-Phenyl-2-(4-pyridinyl)ethanone
CID 287104
2-(Benzylsulfanyl)nicotinaldehyde
CID 4531915
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
1-(4-Fluorophenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5852329
1-Phenyl-3-(4-pyridinyl)-2-propen-1-one
CID 5357476
1-(4-Chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2341267
[2-(Methylthio)phenyl][1-(4-pyridinylmethyl)-3-piperidinyl]methanone
CID 16190453
(E)-1-(3,4-difluorophenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 16319272

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone (CID 868034) is 1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone is O=C(CSc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is UFEDGNOFTXHLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNOS/c14-11-6-4-10(5-7-11)12(16)9-17-13-3-1-2-8-15-13/h1-8H,9H2.
What are the key properties of 1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone?
1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 247.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 868034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).