2-(2,4-dibromo-5-methoxyphenyl)azetidine

C10H11Br2NO — CID 130043119

IUPAC2-(2,4-dibromo-5-methoxyphenyl)azetidine
SMILESCOc1cc(C2CCN2)c(Br)cc1Br
InChIInChI=1S/C10H11Br2NO/c1-14-10-4-6(9-2-3-13-9)7(11)5-8(10)12/h4-5,9,13H,2-3H2,1H3
InChIKeyOGRUHYOMXNJXDP-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.25
Rot. Bonds2

About 2-(2,4-dibromo-5-methoxyphenyl)azetidine

2-(2,4-dibromo-5-methoxyphenyl)azetidine (PubChem CID 130043119) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is 2-(2,4-dibromo-5-methoxyphenyl)azetidine.

Molecular Properties

Compound Name2-(2,4-dibromo-5-methoxyphenyl)azetidine
PubChem CID130043119
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC Name2-(2,4-dibromo-5-methoxyphenyl)azetidine
SMILESCOc1cc(C2CCN2)c(Br)cc1Br
InChIInChI=1S/C10H11Br2NO/c1-14-10-4-6(9-2-3-13-9)7(11)5-8(10)12/h4-5,9,13H,2-3H2,1H3
InChIKeyOGRUHYOMXNJXDP-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
CID 130699449
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
CID 130725443
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
(2S)-2-(4,5-dimethoxy-2-nitrophenyl)azetidine
CID 171196988
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-5-methoxyphenyl)azetidine?
The IUPAC name of 2-(2,4-dibromo-5-methoxyphenyl)azetidine (CID 130043119) is 2-(2,4-dibromo-5-methoxyphenyl)azetidine.
What is the SMILES notation for 2-(2,4-dibromo-5-methoxyphenyl)azetidine?
The canonical SMILES for 2-(2,4-dibromo-5-methoxyphenyl)azetidine is COc1cc(C2CCN2)c(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromo-5-methoxyphenyl)azetidine?
The InChIKey is OGRUHYOMXNJXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO/c1-14-10-4-6(9-2-3-13-9)7(11)5-8(10)12/h4-5,9,13H,2-3H2,1H3.
What are the key properties of 2-(2,4-dibromo-5-methoxyphenyl)azetidine?
2-(2,4-dibromo-5-methoxyphenyl)azetidine has a molecular weight of 321.01 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-5-methoxyphenyl)azetidine is sourced from PubChem (CID 130043119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).