3-[(2-bromo-4-nitrophenyl)methoxy]azetidine

C10H11BrN2O3 — CID 63106271

IUPAC3-[(2-bromo-4-nitrophenyl)methoxy]azetidine
SMILESO=[N+]([O-])c1ccc(COC2CNC2)c(Br)c1
InChIInChI=1S/C10H11BrN2O3/c11-10-3-8(13(14)15)2-1-7(10)6-16-9-4-12-5-9/h1-3,9,12H,4-6H2
InChIKeyWAYVTBVCOJIULI-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.85
Rot. Bonds4

About 3-[(2-bromo-4-nitrophenyl)methoxy]azetidine

3-[(2-bromo-4-nitrophenyl)methoxy]azetidine (PubChem CID 63106271) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 3-[(2-bromo-4-nitrophenyl)methoxy]azetidine.

Molecular Properties

Compound Name3-[(2-bromo-4-nitrophenyl)methoxy]azetidine
PubChem CID63106271
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name3-[(2-bromo-4-nitrophenyl)methoxy]azetidine
SMILESO=[N+]([O-])c1ccc(COC2CNC2)c(Br)c1
InChIInChI=1S/C10H11BrN2O3/c11-10-3-8(13(14)15)2-1-7(10)6-16-9-4-12-5-9/h1-3,9,12H,4-6H2
InChIKeyWAYVTBVCOJIULI-UHFFFAOYSA-N
XLogP1.85
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-bromo-4-nitrophenyl)methoxy]piperidine
CID 62329388
3-[(2-bromo-4-nitrophenyl)methylsulfonylmethyl]azetidine
CID 81196624
3-[(2-chloro-4-nitrophenyl)methoxy]pyrrolidine
CID 62327911
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
3-[(5-chloro-2-nitrophenyl)methoxy]azetidine
CID 79580917
3-[(4-chloro-2-nitrophenyl)methoxy]azetidine
CID 63106816
3-[(2-bromo-4-nitrophenyl)methyl]piperidin-4-one
CID 114451590
2-bromo-1-[(4-iodophenoxy)methyl]-4-nitrobenzene
CID 63531123
3-[2-(4-nitrophenyl)ethoxy]azetidine
CID 63106099
1-[(2-bromo-4-nitrophenyl)methyl]piperazine
CID 60795735
(2R)-1-[(2-bromo-4-nitrophenyl)methyl]-2-methylpiperazine
CID 82761275
2-[1-[(2-bromo-4-nitrophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82685282

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-nitrophenyl)methoxy]azetidine?
The IUPAC name of 3-[(2-bromo-4-nitrophenyl)methoxy]azetidine (CID 63106271) is 3-[(2-bromo-4-nitrophenyl)methoxy]azetidine.
What is the SMILES notation for 3-[(2-bromo-4-nitrophenyl)methoxy]azetidine?
The canonical SMILES for 3-[(2-bromo-4-nitrophenyl)methoxy]azetidine is O=[N+]([O-])c1ccc(COC2CNC2)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-nitrophenyl)methoxy]azetidine?
The InChIKey is WAYVTBVCOJIULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-10-3-8(13(14)15)2-1-7(10)6-16-9-4-12-5-9/h1-3,9,12H,4-6H2.
What are the key properties of 3-[(2-bromo-4-nitrophenyl)methoxy]azetidine?
3-[(2-bromo-4-nitrophenyl)methoxy]azetidine has a molecular weight of 287.11 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-nitrophenyl)methoxy]azetidine is sourced from PubChem (CID 63106271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).