[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone

C16H15ClN2O2 — CID 122248288

IUPAC[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C16H15ClN2O2/c1-11-4-2-3-5-14(11)16(20)19-9-13(10-19)21-15-7-6-12(17)8-18-15/h2-8,13H,9-10H2,1H3
InChIKeyWKALEQCMMLBNQZ-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.95
Rot. Bonds3

About [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone

[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 122248288) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
PubChem CID122248288
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C16H15ClN2O2/c1-11-4-2-3-5-14(11)16(20)19-9-13(10-19)21-15-7-6-12(17)8-18-15/h2-8,13H,9-10H2,1H3
InChIKeyWKALEQCMMLBNQZ-UHFFFAOYSA-N
XLogP2.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248522
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122248430
(5-chloro-2-nitrophenyl)-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122248331
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone
CID 122248298
2-(2-chlorophenyl)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248418
(2-chlorophenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247119
4-chloro-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122248284
1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122248358
5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one
CID 122248419
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
2-(4-chlorophenoxy)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248347
3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248492

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone (CID 122248288) is [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CC(Oc2ccc(Cl)cn2)C1.
What is the InChIKey of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is WKALEQCMMLBNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-4-2-3-5-14(11)16(20)19-9-13(10-19)21-15-7-6-12(17)8-18-15/h2-8,13H,9-10H2,1H3.
What are the key properties of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone?
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 302.76 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 122248288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).