6-azido-5-bromoquinoxaline

C8H4BrN5 — CID 130538305

IUPAC6-azido-5-bromoquinoxaline
SMILES[N-]=[N+]=Nc1ccc2nccnc2c1Br
InChIInChI=1S/C8H4BrN5/c9-7-5(13-14-10)1-2-6-8(7)12-4-3-11-6/h1-4H
InChIKeyWRLZRDQHSLIMEV-UHFFFAOYSA-N
MW250.06 g/mol
LogP3.33
Rot. Bonds1

About 6-azido-5-bromoquinoxaline

6-azido-5-bromoquinoxaline (PubChem CID 130538305) has the molecular formula C8H4BrN5 and a molecular weight of 250.06 g/mol. Its IUPAC name is 6-azido-5-bromoquinoxaline.

Molecular Properties

Compound Name6-azido-5-bromoquinoxaline
PubChem CID130538305
Molecular FormulaC8H4BrN5
Molecular Weight250.06 g/mol
Exact Mass248.97
IUPAC Name6-azido-5-bromoquinoxaline
SMILES[N-]=[N+]=Nc1ccc2nccnc2c1Br
InChIInChI=1S/C8H4BrN5/c9-7-5(13-14-10)1-2-6-8(7)12-4-3-11-6/h1-4H
InChIKeyWRLZRDQHSLIMEV-UHFFFAOYSA-N
XLogP3.33
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.06
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-azido-5-bromoquinoxaline?
The IUPAC name of 6-azido-5-bromoquinoxaline (CID 130538305) is 6-azido-5-bromoquinoxaline.
What is the SMILES notation for 6-azido-5-bromoquinoxaline?
The canonical SMILES for 6-azido-5-bromoquinoxaline is [N-]=[N+]=Nc1ccc2nccnc2c1Br.
What is the InChIKey of 6-azido-5-bromoquinoxaline?
The InChIKey is WRLZRDQHSLIMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN5/c9-7-5(13-14-10)1-2-6-8(7)12-4-3-11-6/h1-4H.
What are the key properties of 6-azido-5-bromoquinoxaline?
6-azido-5-bromoquinoxaline has a molecular weight of 250.06 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-5-bromoquinoxaline is sourced from PubChem (CID 130538305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).