8-bromoquinoxaline-2-carbaldehyde

C9H5BrN2O — CID 131849321

IUPAC8-bromoquinoxaline-2-carbaldehyde
SMILESO=Cc1cnc2cccc(Br)c2n1
InChIInChI=1S/C9H5BrN2O/c10-7-2-1-3-8-9(7)12-6(5-13)4-11-8/h1-5H
InChIKeyJRZHMNKZKYAIGM-UHFFFAOYSA-N
MW237.06 g/mol
LogP2.20
Rot. Bonds1

About 8-bromoquinoxaline-2-carbaldehyde

8-bromoquinoxaline-2-carbaldehyde (PubChem CID 131849321) has the molecular formula C9H5BrN2O and a molecular weight of 237.06 g/mol. Its IUPAC name is 8-bromoquinoxaline-2-carbaldehyde.

Molecular Properties

Compound Name8-bromoquinoxaline-2-carbaldehyde
PubChem CID131849321
Molecular FormulaC9H5BrN2O
Molecular Weight237.06 g/mol
Exact Mass235.96
IUPAC Name8-bromoquinoxaline-2-carbaldehyde
SMILESO=Cc1cnc2cccc(Br)c2n1
InChIInChI=1S/C9H5BrN2O/c10-7-2-1-3-8-9(7)12-6(5-13)4-11-8/h1-5H
InChIKeyJRZHMNKZKYAIGM-UHFFFAOYSA-N
XLogP2.20
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromoquinoxaline-2-carbaldehyde?
The IUPAC name of 8-bromoquinoxaline-2-carbaldehyde (CID 131849321) is 8-bromoquinoxaline-2-carbaldehyde.
What is the SMILES notation for 8-bromoquinoxaline-2-carbaldehyde?
The canonical SMILES for 8-bromoquinoxaline-2-carbaldehyde is O=Cc1cnc2cccc(Br)c2n1.
What is the InChIKey of 8-bromoquinoxaline-2-carbaldehyde?
The InChIKey is JRZHMNKZKYAIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O/c10-7-2-1-3-8-9(7)12-6(5-13)4-11-8/h1-5H.
What are the key properties of 8-bromoquinoxaline-2-carbaldehyde?
8-bromoquinoxaline-2-carbaldehyde has a molecular weight of 237.06 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromoquinoxaline-2-carbaldehyde is sourced from PubChem (CID 131849321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).