[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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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).