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

C14H14ClNOS — CID 112586532

IUPAC1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2cccc(Cl)c2)cn1
InChIInChI=1S/C14H14ClNOS/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
InChIKeyUJHGQYLXBRFWQL-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.33
Rot. Bonds4

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

1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol (PubChem CID 112586532) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
PubChem CID112586532
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2cccc(Cl)c2)cn1
InChIInChI=1S/C14H14ClNOS/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
InChIKeyUJHGQYLXBRFWQL-UHFFFAOYSA-N
XLogP4.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol (CID 112586532) is 1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Sc2cccc(Cl)c2)cn1.
What is the InChIKey of 1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The InChIKey is UJHGQYLXBRFWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/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-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol has a molecular weight of 279.79 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112586532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).