[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone

C16H15ClN2O2S — CID 122248008

IUPAC[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C16H15ClN2O2S/c1-22-14-7-3-2-5-12(14)16(20)19-9-11(10-19)21-15-13(17)6-4-8-18-15/h2-8,11H,9-10H2,1H3
InChIKeyUYYYBPFWFOVHPN-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.36
Rot. Bonds4

About [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone

[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 122248008) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID122248008
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C16H15ClN2O2S/c1-22-14-7-3-2-5-12(14)16(20)19-9-11(10-19)21-15-13(17)6-4-8-18-15/h2-8,11H,9-10H2,1H3
InChIKeyUYYYBPFWFOVHPN-UHFFFAOYSA-N
XLogP3.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 122247943
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 122247852
(2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122247840
(2-chlorophenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247119
(2-ethylsulfanylphenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250908
(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558762
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone
CID 122247908
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
(2-methylsulfanylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638321
N-(4-chlorophenyl)-3-[(3-chloro-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248083
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]pent-4-en-1-one
CID 122247847
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 122248013

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone (CID 122248008) is [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CC(Oc2ncccc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is UYYYBPFWFOVHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-22-14-7-3-2-5-12(14)16(20)19-9-11(10-19)21-15-13(17)6-4-8-18-15/h2-8,11H,9-10H2,1H3.
What are the key properties of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 334.83 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 122248008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).