1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one

C14H12FNOS — CID 113446890

IUPAC1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one
SMILESO=C(CSc1ccccc1F)Cc1cccnc1
InChIInChI=1S/C14H12FNOS/c15-13-5-1-2-6-14(13)18-10-12(17)8-11-4-3-7-16-9-11/h1-7,9H,8,10H2
InChIKeyDWCURNNNHNLWDL-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.12
Rot. Bonds5

About 1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one

1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one (PubChem CID 113446890) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one
PubChem CID113446890
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one
SMILESO=C(CSc1ccccc1F)Cc1cccnc1
InChIInChI=1S/C14H12FNOS/c15-13-5-1-2-6-14(13)18-10-12(17)8-11-4-3-7-16-9-11/h1-7,9H,8,10H2
InChIKeyDWCURNNNHNLWDL-UHFFFAOYSA-N
XLogP3.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66054204
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-one
CID 104735960
4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 116553063
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66052472
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 60976639
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50822798

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one (CID 113446890) is 1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one is O=C(CSc1ccccc1F)Cc1cccnc1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one?
The InChIKey is DWCURNNNHNLWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c15-13-5-1-2-6-14(13)18-10-12(17)8-11-4-3-7-16-9-11/h1-7,9H,8,10H2.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one?
1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one has a molecular weight of 261.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one is sourced from PubChem (CID 113446890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).