1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

C16H18FNOS — CID 79745838

IUPAC1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCCc1ccc(CC(O)CSc2ccccc2F)nc1
InChIInChI=1S/C16H18FNOS/c1-2-12-7-8-13(18-10-12)9-14(19)11-20-16-6-4-3-5-15(16)17/h3-8,10,14,19H,2,9,11H2,1H3
InChIKeyJVEANCIPVHJSNF-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.48
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 79745838) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
PubChem CID79745838
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCCc1ccc(CC(O)CSc2ccccc2F)nc1
InChIInChI=1S/C16H18FNOS/c1-2-12-7-8-13(18-10-12)9-14(19)11-20-16-6-4-3-5-15(16)17/h3-8,10,14,19H,2,9,11H2,1H3
InChIKeyJVEANCIPVHJSNF-UHFFFAOYSA-N
XLogP3.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (CID 79745838) is 1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is CCc1ccc(CC(O)CSc2ccccc2F)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is JVEANCIPVHJSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-2-12-7-8-13(18-10-12)9-14(19)11-20-16-6-4-3-5-15(16)17/h3-8,10,14,19H,2,9,11H2,1H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 291.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 79745838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).