3-(4-bromophenyl)azetidine;hydrochloride

C9H11BrClN — CID 72698861

IUPAC3-(4-bromophenyl)azetidine;hydrochloride
SMILESBrc1ccc(C2CNC2)cc1.Cl
InChIInChI=1S/C9H10BrN.ClH/c10-9-3-1-7(2-4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H
InChIKeyPUUADIQWLUEDNH-UHFFFAOYSA-N
MW248.55 g/mol
LogP2.56
Rot. Bonds1

About 3-(4-bromophenyl)azetidine;hydrochloride

3-(4-bromophenyl)azetidine;hydrochloride (PubChem CID 72698861) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 3-(4-bromophenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-bromophenyl)azetidine;hydrochloride
PubChem CID72698861
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name3-(4-bromophenyl)azetidine;hydrochloride
SMILESBrc1ccc(C2CNC2)cc1.Cl
InChIInChI=1S/C9H10BrN.ClH/c10-9-3-1-7(2-4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H
InChIKeyPUUADIQWLUEDNH-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)azetidine;hydrochloride?
The IUPAC name of 3-(4-bromophenyl)azetidine;hydrochloride (CID 72698861) is 3-(4-bromophenyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(4-bromophenyl)azetidine;hydrochloride?
The canonical SMILES for 3-(4-bromophenyl)azetidine;hydrochloride is Brc1ccc(C2CNC2)cc1.Cl.
What is the InChIKey of 3-(4-bromophenyl)azetidine;hydrochloride?
The InChIKey is PUUADIQWLUEDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN.ClH/c10-9-3-1-7(2-4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H.
What are the key properties of 3-(4-bromophenyl)azetidine;hydrochloride?
3-(4-bromophenyl)azetidine;hydrochloride has a molecular weight of 248.55 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)azetidine;hydrochloride is sourced from PubChem (CID 72698861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).