2-(5-bromoquinoxalin-6-yl)guanidine

C9H8BrN5 — CID 14928441

IUPAC2-(5-bromoquinoxalin-6-yl)guanidine
SMILESNC(N)=Nc1ccc2nccnc2c1Br
InChIInChI=1S/C9H8BrN5/c10-7-5(15-9(11)12)1-2-6-8(7)14-4-3-13-6/h1-4H,(H4,11,12,15)
InChIKeyWBGSURPVIDDDHF-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.30
Rot. Bonds1

About 2-(5-bromoquinoxalin-6-yl)guanidine

2-(5-bromoquinoxalin-6-yl)guanidine (PubChem CID 14928441) has the molecular formula C9H8BrN5 and a molecular weight of 266.10 g/mol. Its IUPAC name is 2-(5-bromoquinoxalin-6-yl)guanidine.

Molecular Properties

Compound Name2-(5-bromoquinoxalin-6-yl)guanidine
PubChem CID14928441
Molecular FormulaC9H8BrN5
Molecular Weight266.10 g/mol
Exact Mass265.00
IUPAC Name2-(5-bromoquinoxalin-6-yl)guanidine
SMILESNC(N)=Nc1ccc2nccnc2c1Br
InChIInChI=1S/C9H8BrN5/c10-7-5(15-9(11)12)1-2-6-8(7)14-4-3-13-6/h1-4H,(H4,11,12,15)
InChIKeyWBGSURPVIDDDHF-UHFFFAOYSA-N
XLogP1.30
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoquinoxalin-6-yl)guanidine?
The IUPAC name of 2-(5-bromoquinoxalin-6-yl)guanidine (CID 14928441) is 2-(5-bromoquinoxalin-6-yl)guanidine.
What is the SMILES notation for 2-(5-bromoquinoxalin-6-yl)guanidine?
The canonical SMILES for 2-(5-bromoquinoxalin-6-yl)guanidine is NC(N)=Nc1ccc2nccnc2c1Br.
What is the InChIKey of 2-(5-bromoquinoxalin-6-yl)guanidine?
The InChIKey is WBGSURPVIDDDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5/c10-7-5(15-9(11)12)1-2-6-8(7)14-4-3-13-6/h1-4H,(H4,11,12,15).
What are the key properties of 2-(5-bromoquinoxalin-6-yl)guanidine?
2-(5-bromoquinoxalin-6-yl)guanidine has a molecular weight of 266.10 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoquinoxalin-6-yl)guanidine is sourced from PubChem (CID 14928441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).