2-(5-bromo-2-methoxyphenyl)aziridine

C9H10BrNO — CID 82473824

IUPAC2-(5-bromo-2-methoxyphenyl)aziridine
SMILESCOc1ccc(Br)cc1C1CN1
InChIInChI=1S/C9H10BrNO/c1-12-9-3-2-6(10)4-7(9)8-5-11-8/h2-4,8,11H,5H2,1H3
InChIKeyHFIZMJUXKJJXEF-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.10
Rot. Bonds2

About 2-(5-bromo-2-methoxyphenyl)aziridine

2-(5-bromo-2-methoxyphenyl)aziridine (PubChem CID 82473824) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)aziridine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)aziridine
PubChem CID82473824
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-(5-bromo-2-methoxyphenyl)aziridine
SMILESCOc1ccc(Br)cc1C1CN1
InChIInChI=1S/C9H10BrNO/c1-12-9-3-2-6(10)4-7(9)8-5-11-8/h2-4,8,11H,5H2,1H3
InChIKeyHFIZMJUXKJJXEF-UHFFFAOYSA-N
XLogP2.10
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82160176
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one
CID 116978398
1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone
CID 43141135
2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
CID 14378759
3-(5-bromo-2-methoxyphenyl)piperazine-2-carboxylic acid
CID 116829366
3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82134395
(2R)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-ium
CID 6945458
2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 70100065
4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one
CID 116979431

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)aziridine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)aziridine (CID 82473824) is 2-(5-bromo-2-methoxyphenyl)aziridine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)aziridine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)aziridine is COc1ccc(Br)cc1C1CN1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)aziridine?
The InChIKey is HFIZMJUXKJJXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-12-9-3-2-6(10)4-7(9)8-5-11-8/h2-4,8,11H,5H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)aziridine?
2-(5-bromo-2-methoxyphenyl)aziridine has a molecular weight of 228.09 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)aziridine is sourced from PubChem (CID 82473824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).