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

C15H19ClN2O2 — CID 122247872

IUPAC[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C15H19ClN2O2/c16-13-7-4-8-17-14(13)20-12-9-18(10-12)15(19)11-5-2-1-3-6-11/h4,7-8,11-12H,1-3,5-6,9-10H2
InChIKeyHCGZPEGTLAPBQC-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.90
Rot. Bonds3

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

[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone (PubChem CID 122247872) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
PubChem CID122247872
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C15H19ClN2O2/c16-13-7-4-8-17-14(13)20-12-9-18(10-12)15(19)11-5-2-1-3-6-11/h4,7-8,11-12H,1-3,5-6,9-10H2
InChIKeyHCGZPEGTLAPBQC-UHFFFAOYSA-N
XLogP2.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250770
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
CID 122249860
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
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 122247943
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122247949
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone
CID 122248067
3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248094
(E)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122247850
(4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251019
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one
CID 122247952
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 122248008

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone (CID 122247872) is [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CC(Oc2ncccc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone?
The InChIKey is HCGZPEGTLAPBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-13-7-4-8-17-14(13)20-12-9-18(10-12)15(19)11-5-2-1-3-6-11/h4,7-8,11-12H,1-3,5-6,9-10H2.
What are the key properties of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone?
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone has a molecular weight of 294.78 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 122247872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).