1-azido-2,4-dibromobenzene

C6H3Br2N3 — CID 12586327

IUPAC1-azido-2,4-dibromobenzene
SMILES[N-]=[N+]=Nc1ccc(Br)cc1Br
InChIInChI=1S/C6H3Br2N3/c7-4-1-2-6(10-11-9)5(8)3-4/h1-3H
InChIKeyPNFFQZGQSSKAQX-UHFFFAOYSA-N
MW276.92 g/mol
LogP4.15
Rot. Bonds1

About 1-azido-2,4-dibromobenzene

1-azido-2,4-dibromobenzene (PubChem CID 12586327) has the molecular formula C6H3Br2N3 and a molecular weight of 276.92 g/mol. Its IUPAC name is 1-azido-2,4-dibromobenzene.

Molecular Properties

Compound Name1-azido-2,4-dibromobenzene
PubChem CID12586327
Molecular FormulaC6H3Br2N3
Molecular Weight276.92 g/mol
Exact Mass274.87
IUPAC Name1-azido-2,4-dibromobenzene
SMILES[N-]=[N+]=Nc1ccc(Br)cc1Br
InChIInChI=1S/C6H3Br2N3/c7-4-1-2-6(10-11-9)5(8)3-4/h1-3H
InChIKeyPNFFQZGQSSKAQX-UHFFFAOYSA-N
XLogP4.15
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.92
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of 1-azido-2,4-dibromobenzene?
The IUPAC name of 1-azido-2,4-dibromobenzene (CID 12586327) is 1-azido-2,4-dibromobenzene.
What is the SMILES notation for 1-azido-2,4-dibromobenzene?
The canonical SMILES for 1-azido-2,4-dibromobenzene is [N-]=[N+]=Nc1ccc(Br)cc1Br.
What is the InChIKey of 1-azido-2,4-dibromobenzene?
The InChIKey is PNFFQZGQSSKAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2N3/c7-4-1-2-6(10-11-9)5(8)3-4/h1-3H.
What are the key properties of 1-azido-2,4-dibromobenzene?
1-azido-2,4-dibromobenzene has a molecular weight of 276.92 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,4-dibromobenzene is sourced from PubChem (CID 12586327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).