2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine

C11H13F3N2O3S — CID 122251618

IUPAC2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine
SMILESCCS(=O)(=O)N1CC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C11H13F3N2O3S/c1-2-20(17,18)16-6-9(7-16)19-10-5-8(3-4-15-10)11(12,13)14/h3-5,9H,2,6-7H2,1H3
InChIKeyJWGWSYFKEGOSSN-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.51
Rot. Bonds4

About 2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine

2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine (PubChem CID 122251618) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine
PubChem CID122251618
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine
SMILESCCS(=O)(=O)N1CC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C11H13F3N2O3S/c1-2-20(17,18)16-6-9(7-16)19-10-5-8(3-4-15-10)11(12,13)14/h3-5,9H,2,6-7H2,1H3
InChIKeyJWGWSYFKEGOSSN-UHFFFAOYSA-N
XLogP1.51
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide
CID 91625468
ethyl 2-oxo-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]acetate
CID 122251292
2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
CID 122252600
1-[2-[(3R)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 100739140
(3,4-diethoxyphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251318
(3,5-dimethylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251303
(2-iodophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251330
2-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyridine
CID 100739062
4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
CID 175551989
[4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251458
2-piperidin-4-yloxy-4-(trifluoromethyl)pyridine
CID 66330077
2-(3,4-dimethoxyphenyl)-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251377

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine (CID 122251618) is 2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine is CCS(=O)(=O)N1CC(Oc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of 2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine?
The InChIKey is JWGWSYFKEGOSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-2-20(17,18)16-6-9(7-16)19-10-5-8(3-4-15-10)11(12,13)14/h3-5,9H,2,6-7H2,1H3.
What are the key properties of 2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine?
2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine has a molecular weight of 310.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 122251618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).