(5-bromoquinoxalin-6-yl)cyanamide

C9H5BrN4 — CID 23223848

IUPAC(5-bromoquinoxalin-6-yl)cyanamide
SMILESN#CNc1ccc2nccnc2c1Br
InChIInChI=1S/C9H5BrN4/c10-8-6(14-5-11)1-2-7-9(8)13-4-3-12-7/h1-4,14H
InChIKeyBDNRNAIKQPMCFL-UHFFFAOYSA-N
MW249.07 g/mol
LogP2.29
Rot. Bonds1

About (5-bromoquinoxalin-6-yl)cyanamide

(5-bromoquinoxalin-6-yl)cyanamide (PubChem CID 23223848) has the molecular formula C9H5BrN4 and a molecular weight of 249.07 g/mol. Its IUPAC name is (5-bromoquinoxalin-6-yl)cyanamide.

Molecular Properties

Compound Name(5-bromoquinoxalin-6-yl)cyanamide
PubChem CID23223848
Molecular FormulaC9H5BrN4
Molecular Weight249.07 g/mol
Exact Mass247.97
IUPAC Name(5-bromoquinoxalin-6-yl)cyanamide
SMILESN#CNc1ccc2nccnc2c1Br
InChIInChI=1S/C9H5BrN4/c10-8-6(14-5-11)1-2-7-9(8)13-4-3-12-7/h1-4,14H
InChIKeyBDNRNAIKQPMCFL-UHFFFAOYSA-N
XLogP2.29
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromoquinoxalin-6-yl)cyanamide?
The IUPAC name of (5-bromoquinoxalin-6-yl)cyanamide (CID 23223848) is (5-bromoquinoxalin-6-yl)cyanamide.
What is the SMILES notation for (5-bromoquinoxalin-6-yl)cyanamide?
The canonical SMILES for (5-bromoquinoxalin-6-yl)cyanamide is N#CNc1ccc2nccnc2c1Br.
What is the InChIKey of (5-bromoquinoxalin-6-yl)cyanamide?
The InChIKey is BDNRNAIKQPMCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4/c10-8-6(14-5-11)1-2-7-9(8)13-4-3-12-7/h1-4,14H.
What are the key properties of (5-bromoquinoxalin-6-yl)cyanamide?
(5-bromoquinoxalin-6-yl)cyanamide has a molecular weight of 249.07 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromoquinoxalin-6-yl)cyanamide is sourced from PubChem (CID 23223848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).