5-bromoquinoxaline

C8H5BrN2 — CID 610437

IUPAC5-bromoquinoxaline
SMILESBrc1cccc2nccnc12
InChIInChI=1S/C8H5BrN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5H
InChIKeyUJEGBESUCWOWNQ-UHFFFAOYSA-N
MW209.05 g/mol
LogP2.39
Rot. Bonds

About 5-bromoquinoxaline

5-bromoquinoxaline (PubChem CID 610437) has the molecular formula C8H5BrN2 and a molecular weight of 209.05 g/mol. Its IUPAC name is 5-bromoquinoxaline.

Molecular Properties

Compound Name5-bromoquinoxaline
PubChem CID610437
Molecular FormulaC8H5BrN2
Molecular Weight209.05 g/mol
Exact Mass207.96
IUPAC Name5-bromoquinoxaline
SMILESBrc1cccc2nccnc12
InChIInChI=1S/C8H5BrN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5H
InChIKeyUJEGBESUCWOWNQ-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 5-bromoquinoxaline?
The IUPAC name of 5-bromoquinoxaline (CID 610437) is 5-bromoquinoxaline.
What is the SMILES notation for 5-bromoquinoxaline?
The canonical SMILES for 5-bromoquinoxaline is Brc1cccc2nccnc12.
What is the InChIKey of 5-bromoquinoxaline?
The InChIKey is UJEGBESUCWOWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5H.
What are the key properties of 5-bromoquinoxaline?
5-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 5-bromoquinoxaline is sourced from PubChem (CID 610437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).