1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol

C14H14FNOS — CID 112586568

IUPAC1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2cccc(F)c2)cn1
InChIInChI=1S/C14H14FNOS/c1-2-14(17)13-7-6-12(9-16-13)18-11-5-3-4-10(15)8-11/h3-9,14,17H,2H2,1H3
InChIKeyYPPFCKMWYJOPOE-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.82
Rot. Bonds4

About 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol

1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol (PubChem CID 112586568) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
PubChem CID112586568
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2cccc(F)c2)cn1
InChIInChI=1S/C14H14FNOS/c1-2-14(17)13-7-6-12(9-16-13)18-11-5-3-4-10(15)8-11/h3-9,14,17H,2H2,1H3
InChIKeyYPPFCKMWYJOPOE-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585182
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355452
1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586532
(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939372
(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939384
(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355459
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531
(1S)-1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 103938668
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
(1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol
CID 103939422
(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
CID 113355448

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol (CID 112586568) is 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Sc2cccc(F)c2)cn1.
What is the InChIKey of 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The InChIKey is YPPFCKMWYJOPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-2-14(17)13-7-6-12(9-16-13)18-11-5-3-4-10(15)8-11/h3-9,14,17H,2H2,1H3.
What are the key properties of 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112586568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).