(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol

C14H13F2NOS — CID 103939372

IUPAC(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(Sc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C14H13F2NOS/c1-2-14(18)13-6-4-10(8-17-13)19-9-3-5-11(15)12(16)7-9/h3-8,14,18H,2H2,1H3/t14-/m1/s1
InChIKeyYKTJOBVWCRQCMD-CQSZACIVSA-N
MW281.33 g/mol
LogP3.95
Rot. Bonds4

About (1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol

(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol (PubChem CID 103939372) has the molecular formula C14H13F2NOS and a molecular weight of 281.33 g/mol. Its IUPAC name is (1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
PubChem CID103939372
Molecular FormulaC14H13F2NOS
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(Sc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C14H13F2NOS/c1-2-14(18)13-6-4-10(8-17-13)19-9-3-5-11(15)12(16)7-9/h3-8,14,18H,2H2,1H3/t14-/m1/s1
InChIKeyYKTJOBVWCRQCMD-CQSZACIVSA-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
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939384
1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586532
(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-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol
CID 112586571
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol
CID 115941653
1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586546
(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol
CID 113355469

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol (CID 103939372) is (1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol is CC[C@@H](O)c1ccc(Sc2ccc(F)c(F)c2)cn1.
What is the InChIKey of (1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The InChIKey is YKTJOBVWCRQCMD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13F2NOS/c1-2-14(18)13-6-4-10(8-17-13)19-9-3-5-11(15)12(16)7-9/h3-8,14,18H,2H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
(1R)-1-[5-(3,4-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 (1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103939372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).