3-bromoquinoxaline-6-sulfonic acid;hydrobromide

C8H6Br2N2O3S — CID 88784488

IUPAC3-bromoquinoxaline-6-sulfonic acid;hydrobromide
SMILESBr.O=S(=O)(O)c1ccc2ncc(Br)nc2c1
InChIInChI=1S/C8H5BrN2O3S.BrH/c9-8-4-10-6-2-1-5(15(12,13)14)3-7(6)11-8;/h1-4H,(H,12,13,14);1H
InChIKeyFVJHXWCSAWAXKV-UHFFFAOYSA-N
MW370.02 g/mol
LogP2.22
Rot. Bonds1

About 3-bromoquinoxaline-6-sulfonic acid;hydrobromide

3-bromoquinoxaline-6-sulfonic acid;hydrobromide (PubChem CID 88784488) has the molecular formula C8H6Br2N2O3S and a molecular weight of 370.02 g/mol. Its IUPAC name is 3-bromoquinoxaline-6-sulfonic acid;hydrobromide.

Molecular Properties

Compound Name3-bromoquinoxaline-6-sulfonic acid;hydrobromide
PubChem CID88784488
Molecular FormulaC8H6Br2N2O3S
Molecular Weight370.02 g/mol
Exact Mass367.85
IUPAC Name3-bromoquinoxaline-6-sulfonic acid;hydrobromide
SMILESBr.O=S(=O)(O)c1ccc2ncc(Br)nc2c1
InChIInChI=1S/C8H5BrN2O3S.BrH/c9-8-4-10-6-2-1-5(15(12,13)14)3-7(6)11-8;/h1-4H,(H,12,13,14);1H
InChIKeyFVJHXWCSAWAXKV-UHFFFAOYSA-N
XLogP2.22
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.02
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromoquinoxaline-6-sulfonic acid;hydrobromide?
The IUPAC name of 3-bromoquinoxaline-6-sulfonic acid;hydrobromide (CID 88784488) is 3-bromoquinoxaline-6-sulfonic acid;hydrobromide.
What is the SMILES notation for 3-bromoquinoxaline-6-sulfonic acid;hydrobromide?
The canonical SMILES for 3-bromoquinoxaline-6-sulfonic acid;hydrobromide is Br.O=S(=O)(O)c1ccc2ncc(Br)nc2c1.
What is the InChIKey of 3-bromoquinoxaline-6-sulfonic acid;hydrobromide?
The InChIKey is FVJHXWCSAWAXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O3S.BrH/c9-8-4-10-6-2-1-5(15(12,13)14)3-7(6)11-8;/h1-4H,(H,12,13,14);1H.
What are the key properties of 3-bromoquinoxaline-6-sulfonic acid;hydrobromide?
3-bromoquinoxaline-6-sulfonic acid;hydrobromide has a molecular weight of 370.02 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoquinoxaline-6-sulfonic acid;hydrobromide is sourced from PubChem (CID 88784488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).