2-bromoquinoxaline

C8H5BrN2 — CID 582225

IUPAC2-bromoquinoxaline
SMILESBrc1cnc2ccccc2n1
InChIInChI=1S/C8H5BrN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyXVKLMYQMVPHUPN-UHFFFAOYSA-N
MW209.05 g/mol
LogP2.39
Rot. Bonds

About 2-bromoquinoxaline

2-bromoquinoxaline (PubChem CID 582225) has the molecular formula C8H5BrN2 and a molecular weight of 209.05 g/mol. Its IUPAC name is 2-bromoquinoxaline.

Molecular Properties

Compound Name2-bromoquinoxaline
PubChem CID582225
Molecular FormulaC8H5BrN2
Molecular Weight209.05 g/mol
Exact Mass207.96
IUPAC Name2-bromoquinoxaline
SMILESBrc1cnc2ccccc2n1
InChIInChI=1S/C8H5BrN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyXVKLMYQMVPHUPN-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromoquinoxaline?
The IUPAC name of 2-bromoquinoxaline (CID 582225) is 2-bromoquinoxaline.
What is the SMILES notation for 2-bromoquinoxaline?
The canonical SMILES for 2-bromoquinoxaline is Brc1cnc2ccccc2n1.
What is the InChIKey of 2-bromoquinoxaline?
The InChIKey is XVKLMYQMVPHUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H.
What are the key properties of 2-bromoquinoxaline?
2-bromoquinoxaline has a molecular weight of 209.05 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoquinoxaline is sourced from PubChem (CID 582225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).