1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol

C14H14FNOS — CID 66065980

IUPAC1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol
SMILESCc1ccc(SCC(O)c2cncc(F)c2)cc1
InChIInChI=1S/C14H14FNOS/c1-10-2-4-13(5-3-10)18-9-14(17)11-6-12(15)8-16-7-11/h2-8,14,17H,9H2,1H3
InChIKeyWCYFLCWWMJWTOI-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.35
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol

1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol (PubChem CID 66065980) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol
PubChem CID66065980
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol
SMILESCc1ccc(SCC(O)c2cncc(F)c2)cc1
InChIInChI=1S/C14H14FNOS/c1-10-2-4-13(5-3-10)18-9-14(17)11-6-12(15)8-16-7-11/h2-8,14,17H,9H2,1H3
InChIKeyWCYFLCWWMJWTOI-UHFFFAOYSA-N
XLogP3.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115374163
2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 114981178
2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 66056882
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789
2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66065568
2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60981309
(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
CID 102244244
1-(5-fluoro-3-pyridinyl)-3-methylidenepentan-1-ol
CID 105110755
1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanol
CID 62551931
1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
CID 66064203
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol
CID 65139697
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
CID 66047072

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol (CID 66065980) is 1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol is Cc1ccc(SCC(O)c2cncc(F)c2)cc1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol?
The InChIKey is WCYFLCWWMJWTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-10-2-4-13(5-3-10)18-9-14(17)11-6-12(15)8-16-7-11/h2-8,14,17H,9H2,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol?
1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol has a molecular weight of 263.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol is sourced from PubChem (CID 66065980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).