2-[(3-bromo-4-chlorophenyl)methyl]azetidine

C10H11BrClN — CID 84710243

IUPAC2-[(3-bromo-4-chlorophenyl)methyl]azetidine
SMILESClc1ccc(CC2CCN2)cc1Br
InChIInChI=1S/C10H11BrClN/c11-9-6-7(1-2-10(9)12)5-8-3-4-13-8/h1-2,6,8,13H,3-5H2
InChIKeyRQRAHQQYZJZWSM-UHFFFAOYSA-N
MW260.56 g/mol
LogP3.01
Rot. Bonds2

About 2-[(3-bromo-4-chlorophenyl)methyl]azetidine

2-[(3-bromo-4-chlorophenyl)methyl]azetidine (PubChem CID 84710243) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is 2-[(3-bromo-4-chlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name2-[(3-bromo-4-chlorophenyl)methyl]azetidine
PubChem CID84710243
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name2-[(3-bromo-4-chlorophenyl)methyl]azetidine
SMILESClc1ccc(CC2CCN2)cc1Br
InChIInChI=1S/C10H11BrClN/c11-9-6-7(1-2-10(9)12)5-8-3-4-13-8/h1-2,6,8,13H,3-5H2
InChIKeyRQRAHQQYZJZWSM-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.56
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 84708784
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
N-[(3-bromo-4-chlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603964
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-[[3-bromo-4-(1-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117461346
2-[(2-chlorophenyl)methyl]azetidine
CID 84658268
2-[(3-bromo-5-methylphenyl)methyl]azetidine
CID 84701852
N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606044
2-[(5-bromo-2-chlorophenoxy)methyl]azetidine
CID 84714468
3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
CID 84713943
2-(3-bromo-4-chlorophenyl)acetaldehyde
CID 83240739
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-chlorophenyl)methyl]azetidine?
The IUPAC name of 2-[(3-bromo-4-chlorophenyl)methyl]azetidine (CID 84710243) is 2-[(3-bromo-4-chlorophenyl)methyl]azetidine.
What is the SMILES notation for 2-[(3-bromo-4-chlorophenyl)methyl]azetidine?
The canonical SMILES for 2-[(3-bromo-4-chlorophenyl)methyl]azetidine is Clc1ccc(CC2CCN2)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-chlorophenyl)methyl]azetidine?
The InChIKey is RQRAHQQYZJZWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN/c11-9-6-7(1-2-10(9)12)5-8-3-4-13-8/h1-2,6,8,13H,3-5H2.
What are the key properties of 2-[(3-bromo-4-chlorophenyl)methyl]azetidine?
2-[(3-bromo-4-chlorophenyl)methyl]azetidine has a molecular weight of 260.56 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-chlorophenyl)methyl]azetidine is sourced from PubChem (CID 84710243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).