1-(1-azidocyclopentyl)-4-bromobenzene

C11H12BrN3 — CID 125451410

IUPAC1-(1-azidocyclopentyl)-4-bromobenzene
SMILES[N-]=[N+]=NC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C11H12BrN3/c12-10-5-3-9(4-6-10)11(14-15-13)7-1-2-8-11/h3-6H,1-2,7-8H2
InChIKeyBOJYQTYXBKLTFN-UHFFFAOYSA-N
MW266.14 g/mol
LogP4.53
Rot. Bonds2

About 1-(1-azidocyclopentyl)-4-bromobenzene

1-(1-azidocyclopentyl)-4-bromobenzene (PubChem CID 125451410) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(1-azidocyclopentyl)-4-bromobenzene.

Molecular Properties

Compound Name1-(1-azidocyclopentyl)-4-bromobenzene
PubChem CID125451410
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-(1-azidocyclopentyl)-4-bromobenzene
SMILES[N-]=[N+]=NC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C11H12BrN3/c12-10-5-3-9(4-6-10)11(14-15-13)7-1-2-8-11/h3-6H,1-2,7-8H2
InChIKeyBOJYQTYXBKLTFN-UHFFFAOYSA-N
XLogP4.53
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1-azidocyclopropyl)benzene;molecular hydrogen
CID 167653992
1-bromo-4-(1-isocyanatocyclohexyl)benzene
CID 82093849
4-azido-4-(4-fluorophenyl)oxane
CID 50989432
2-(3-azidooxetan-3-yl)-5-bromopyridine
CID 150881325
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
1-bromo-4-(1-phenylcyclohexyl)benzene
CID 163634651
1-(4-bromophenyl)cyclobutane-1-thiol
CID 170060099
1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene
CID 84730103
1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene
CID 82094186
1-(4-bromophenyl)cyclohexane-1-carbaldehyde
CID 82133968
1-(4-bromophenyl)cyclohexane-1-carboxamide
CID 47319711
1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926

Frequently Asked Questions

What is the IUPAC name of 1-(1-azidocyclopentyl)-4-bromobenzene?
The IUPAC name of 1-(1-azidocyclopentyl)-4-bromobenzene (CID 125451410) is 1-(1-azidocyclopentyl)-4-bromobenzene.
What is the SMILES notation for 1-(1-azidocyclopentyl)-4-bromobenzene?
The canonical SMILES for 1-(1-azidocyclopentyl)-4-bromobenzene is [N-]=[N+]=NC1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-(1-azidocyclopentyl)-4-bromobenzene?
The InChIKey is BOJYQTYXBKLTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-10-5-3-9(4-6-10)11(14-15-13)7-1-2-8-11/h3-6H,1-2,7-8H2.
What are the key properties of 1-(1-azidocyclopentyl)-4-bromobenzene?
1-(1-azidocyclopentyl)-4-bromobenzene has a molecular weight of 266.14 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azidocyclopentyl)-4-bromobenzene is sourced from PubChem (CID 125451410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).