1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol

C8H10FNO3S — CID 115834015

IUPAC1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1ccncc1F
InChIInChI=1S/C8H10FNO3S/c1-14(12,13)5-8(11)6-2-3-10-4-7(6)9/h2-4,8,11H,5H2,1H3
InChIKeyHKYKKFNCDPWLTB-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.30
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol

1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol (PubChem CID 115834015) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
PubChem CID115834015
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1ccncc1F
InChIInChI=1S/C8H10FNO3S/c1-14(12,13)5-8(11)6-2-3-10-4-7(6)9/h2-4,8,11H,5H2,1H3
InChIKeyHKYKKFNCDPWLTB-UHFFFAOYSA-N
XLogP0.30
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
CID 104737985
1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol
CID 103027695
N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 105038168
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
CID 104737624
[1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105335480
1-(3-fluoro-4-pyridinyl)-2-(2-methoxyethylamino)ethanol
CID 104739344
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
CID 114983838
1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048060
1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082589
4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol (CID 115834015) is 1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol?
The InChIKey is HKYKKFNCDPWLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/c1-14(12,13)5-8(11)6-2-3-10-4-7(6)9/h2-4,8,11H,5H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol?
1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol has a molecular weight of 219.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol is sourced from PubChem (CID 115834015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).