(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol

C14H13F2NOS — CID 103939384

IUPAC(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Sc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H13F2NOS/c1-2-13(18)12-6-4-10(8-17-12)19-14-7-9(15)3-5-11(14)16/h3-8,13,18H,2H2,1H3/t13-/m0/s1
InChIKeySTNRBGHJVFOEAN-ZDUSSCGKSA-N
MW281.33 g/mol
LogP3.95
Rot. Bonds4

About (1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol

(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol (PubChem CID 103939384) has the molecular formula C14H13F2NOS and a molecular weight of 281.33 g/mol. Its IUPAC name is (1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
PubChem CID103939384
Molecular FormulaC14H13F2NOS
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Sc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H13F2NOS/c1-2-13(18)12-6-4-10(8-17-12)19-14-7-9(15)3-5-11(14)16/h3-8,13,18H,2H2,1H3/t13-/m0/s1
InChIKeySTNRBGHJVFOEAN-ZDUSSCGKSA-N
XLogP3.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355452
(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939372
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
(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
1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586546
1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586532
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
(1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83123417
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol (CID 103939384) is (1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(Sc2cc(F)ccc2F)cn1.
What is the InChIKey of (1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The InChIKey is STNRBGHJVFOEAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13F2NOS/c1-2-13(18)12-6-4-10(8-17-12)19-14-7-9(15)3-5-11(14)16/h3-8,13,18H,2H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol has a molecular weight of 281.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103939384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).