2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol

C14H14FNOS — CID 66271190

IUPAC2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
SMILESCc1ccncc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C14H14FNOS/c1-10-5-6-16-8-13(10)14(17)9-18-12-4-2-3-11(15)7-12/h2-8,14,17H,9H2,1H3
InChIKeySUSUGAJLNSWJNY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.35
Rot. Bonds4

About 2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol

2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol (PubChem CID 66271190) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
PubChem CID66271190
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
SMILESCc1ccncc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C14H14FNOS/c1-10-5-6-16-8-13(10)14(17)9-18-12-4-2-3-11(15)7-12/h2-8,14,17H,9H2,1H3
InChIKeySUSUGAJLNSWJNY-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-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238
2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143443
2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66070411
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 107128528
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66148548
2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271619
1-isoquinolin-5-yl-2-(3-methylphenyl)sulfanylethanol
CID 66087167
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol
CID 66070414
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66271230
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanylethanol
CID 114644222

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol (CID 66271190) is 2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol is Cc1ccncc1C(O)CSc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol?
The InChIKey is SUSUGAJLNSWJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-10-5-6-16-8-13(10)14(17)9-18-12-4-2-3-11(15)7-12/h2-8,14,17H,9H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol?
2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol 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 2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 66271190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).