5-bromoquinoxalin-6-amine

C8H6BrN3 — CID 14928442

IUPAC5-bromoquinoxalin-6-amine
SMILESNc1ccc2nccnc2c1Br
InChIInChI=1S/C8H6BrN3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-4H,10H2
InChIKeyIRAOSCSPAYZRJE-UHFFFAOYSA-N
MW224.06 g/mol
LogP1.97
Rot. Bonds

About 5-bromoquinoxalin-6-amine

5-bromoquinoxalin-6-amine (PubChem CID 14928442) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 5-bromoquinoxalin-6-amine.

Molecular Properties

Compound Name5-bromoquinoxalin-6-amine
PubChem CID14928442
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name5-bromoquinoxalin-6-amine
SMILESNc1ccc2nccnc2c1Br
InChIInChI=1S/C8H6BrN3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-4H,10H2
InChIKeyIRAOSCSPAYZRJE-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromoquinoxalin-6-amine?
The IUPAC name of 5-bromoquinoxalin-6-amine (CID 14928442) is 5-bromoquinoxalin-6-amine.
What is the SMILES notation for 5-bromoquinoxalin-6-amine?
The canonical SMILES for 5-bromoquinoxalin-6-amine is Nc1ccc2nccnc2c1Br.
What is the InChIKey of 5-bromoquinoxalin-6-amine?
The InChIKey is IRAOSCSPAYZRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-4H,10H2.
What are the key properties of 5-bromoquinoxalin-6-amine?
5-bromoquinoxalin-6-amine has a molecular weight of 224.06 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoquinoxalin-6-amine is sourced from PubChem (CID 14928442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).