2-azido-1,3-dibromobenzene

C6H3Br2N3 — CID 23583922

IUPAC2-azido-1,3-dibromobenzene
SMILES[N-]=[N+]=Nc1c(Br)cccc1Br
InChIInChI=1S/C6H3Br2N3/c7-4-2-1-3-5(8)6(4)10-11-9/h1-3H
InChIKeyPRWFVRYLSLQXTL-UHFFFAOYSA-N
MW276.92 g/mol
LogP4.15
Rot. Bonds1

About 2-azido-1,3-dibromobenzene

2-azido-1,3-dibromobenzene (PubChem CID 23583922) has the molecular formula C6H3Br2N3 and a molecular weight of 276.92 g/mol. Its IUPAC name is 2-azido-1,3-dibromobenzene.

Molecular Properties

Compound Name2-azido-1,3-dibromobenzene
PubChem CID23583922
Molecular FormulaC6H3Br2N3
Molecular Weight276.92 g/mol
Exact Mass274.87
IUPAC Name2-azido-1,3-dibromobenzene
SMILES[N-]=[N+]=Nc1c(Br)cccc1Br
InChIInChI=1S/C6H3Br2N3/c7-4-2-1-3-5(8)6(4)10-11-9/h1-3H
InChIKeyPRWFVRYLSLQXTL-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 2-azido-1,3-dibromobenzene?
The IUPAC name of 2-azido-1,3-dibromobenzene (CID 23583922) is 2-azido-1,3-dibromobenzene.
What is the SMILES notation for 2-azido-1,3-dibromobenzene?
The canonical SMILES for 2-azido-1,3-dibromobenzene is [N-]=[N+]=Nc1c(Br)cccc1Br.
What is the InChIKey of 2-azido-1,3-dibromobenzene?
The InChIKey is PRWFVRYLSLQXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2N3/c7-4-2-1-3-5(8)6(4)10-11-9/h1-3H.
What are the key properties of 2-azido-1,3-dibromobenzene?
2-azido-1,3-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 2-azido-1,3-dibromobenzene is sourced from PubChem (CID 23583922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).