1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol

C9H11F2NO4S — CID 123526846

IUPAC1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol
SMILESCC(O)c1ncc(S(C)(=O)=O)cc1OC(F)F
InChIInChI=1S/C9H11F2NO4S/c1-5(13)8-7(16-9(10)11)3-6(4-12-8)17(2,14)15/h3-5,9,13H,1-2H3
InChIKeyUABQAINJTOZGSG-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.14
Rot. Bonds4

About 1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol

1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol (PubChem CID 123526846) has the molecular formula C9H11F2NO4S and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol
PubChem CID123526846
Molecular FormulaC9H11F2NO4S
Molecular Weight267.25 g/mol
Exact Mass267.04
IUPAC Name1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol
SMILESCC(O)c1ncc(S(C)(=O)=O)cc1OC(F)F
InChIInChI=1S/C9H11F2NO4S/c1-5(13)8-7(16-9(10)11)3-6(4-12-8)17(2,14)15/h3-5,9,13H,1-2H3
InChIKeyUABQAINJTOZGSG-UHFFFAOYSA-N
XLogP1.14
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine
CID 162401320
2-[[2-(3-Methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol
CID 18797535
3-(Difluoromethoxy)-2-(methylsulfonylmethyl)pyridine
CID 67384844
3-methoxy-2-(4-methyl-4-(3-(trifluoromethyl)phenylsulfonyl)tetrahydro-2H-pyran-2-yl)-5-(methylsulfonyl)pyridine
CID 118434372
2-Tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine
CID 118445020
5-(Difluoromethoxy)-2-methyl-3-methylsulfonylpyridine
CID 118448524
5-(Difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine
CID 118464126
3-(Difluoromethoxy)-5-methylsulfonylpyridine
CID 123170906
[3-(2,2-Difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol
CID 134166751
5-(Difluoromethoxy)-3-methylsulfanyl-2-[1-[3-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylbutoxy]ethyl]pyridine
CID 138711933
5-methylsulfonyl-2-[4-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-3,5-dien-1-yn-4-yl]sulfonyloxan-2-yl]pyridin-3-ol
CID 138711996
2-Butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine
CID 138712200

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol?
The IUPAC name of 1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol (CID 123526846) is 1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol?
The canonical SMILES for 1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol is CC(O)c1ncc(S(C)(=O)=O)cc1OC(F)F.
What is the InChIKey of 1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol?
The InChIKey is UABQAINJTOZGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO4S/c1-5(13)8-7(16-9(10)11)3-6(4-12-8)17(2,14)15/h3-5,9,13H,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol?
1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol has a molecular weight of 267.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol is sourced from PubChem (CID 123526846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).