4-azidodibenzofuran

C12H7N3O — CID 86670500

IUPAC4-azidodibenzofuran
SMILES[N-]=[N+]=Nc1cccc2c1oc1ccccc12
InChIInChI=1S/C12H7N3O/c13-15-14-10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7H
InChIKeyDEZNHSJVTMBPNL-UHFFFAOYSA-N
MW209.21 g/mol
LogP4.53
Rot. Bonds1

About 4-azidodibenzofuran

4-azidodibenzofuran (PubChem CID 86670500) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-azidodibenzofuran.

Molecular Properties

Compound Name4-azidodibenzofuran
PubChem CID86670500
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Name4-azidodibenzofuran
SMILES[N-]=[N+]=Nc1cccc2c1oc1ccccc12
InChIInChI=1S/C12H7N3O/c13-15-14-10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7H
InChIKeyDEZNHSJVTMBPNL-UHFFFAOYSA-N
XLogP4.53
TPSA61.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-azidodibenzofuran?
The IUPAC name of 4-azidodibenzofuran (CID 86670500) is 4-azidodibenzofuran.
What is the SMILES notation for 4-azidodibenzofuran?
The canonical SMILES for 4-azidodibenzofuran is [N-]=[N+]=Nc1cccc2c1oc1ccccc12.
What is the InChIKey of 4-azidodibenzofuran?
The InChIKey is DEZNHSJVTMBPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c13-15-14-10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7H.
What are the key properties of 4-azidodibenzofuran?
4-azidodibenzofuran has a molecular weight of 209.21 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidodibenzofuran is sourced from PubChem (CID 86670500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).