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

C16H14BrClN2O3 — CID 122247840

IUPAC(2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCOc1ccc(Br)c(C(=O)N2CC(Oc3ncccc3Cl)C2)c1
InChIInChI=1S/C16H14BrClN2O3/c1-22-10-4-5-13(17)12(7-10)16(21)20-8-11(9-20)23-15-14(18)3-2-6-19-15/h2-7,11H,8-9H2,1H3
InChIKeyZUPSLSINBASUHS-UHFFFAOYSA-N
MW397.66 g/mol
LogP3.41
Rot. Bonds4

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

(2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone (PubChem CID 122247840) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
PubChem CID122247840
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC Name(2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCOc1ccc(Br)c(C(=O)N2CC(Oc3ncccc3Cl)C2)c1
InChIInChI=1S/C16H14BrClN2O3/c1-22-10-4-5-13(17)12(7-10)16(21)20-8-11(9-20)23-15-14(18)3-2-6-19-15/h2-7,11H,8-9H2,1H3
InChIKeyZUPSLSINBASUHS-UHFFFAOYSA-N
XLogP3.41
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone with MolForge

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Related Compounds

3-[(3-chloro-2-pyridinyl)oxy]-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 122248095
3-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 122248088
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 122248008
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 122247852
(2-bromo-5-methoxyphenyl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone
CID 122151894
2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249097
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone
CID 122247908
[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]-2-methylpropan-1-one
CID 122247952
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 122249894
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 122249899
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122247949

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone (CID 122247840) is (2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone is COc1ccc(Br)c(C(=O)N2CC(Oc3ncccc3Cl)C2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The InChIKey is ZUPSLSINBASUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c1-22-10-4-5-13(17)12(7-10)16(21)20-8-11(9-20)23-15-14(18)3-2-6-19-15/h2-7,11H,8-9H2,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone?
(2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone has a molecular weight of 397.66 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122247840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).