1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol

C9H12ClNO3S — CID 114983838

IUPAC1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1ccncc1Cl
InChIInChI=1S/C9H12ClNO3S/c1-15(13,14)5-3-9(12)7-2-4-11-6-8(7)10/h2,4,6,9,12H,3,5H2,1H3
InChIKeyXDCZUEGIFKVIQW-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.20
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol

1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol (PubChem CID 114983838) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
PubChem CID114983838
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1ccncc1Cl
InChIInChI=1S/C9H12ClNO3S/c1-15(13,14)5-3-9(12)7-2-4-11-6-8(7)10/h2,4,6,9,12H,3,5H2,1H3
InChIKeyXDCZUEGIFKVIQW-UHFFFAOYSA-N
XLogP1.20
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082589
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol
CID 62605954
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one
CID 114983965
1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089032
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030
3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol
CID 114983817
1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
CID 115834015
3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol
CID 62608221

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol (CID 114983838) is 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol is CS(=O)(=O)CCC(O)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol?
The InChIKey is XDCZUEGIFKVIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-15(13,14)5-3-9(12)7-2-4-11-6-8(7)10/h2,4,6,9,12H,3,5H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol?
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol has a molecular weight of 249.72 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol is sourced from PubChem (CID 114983838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).