quinoxalin-6-ylboronic acid

C8H7BN2O2 — CID 45073596

IUPACquinoxalin-6-ylboronic acid
SMILESOB(O)c1ccc2nccnc2c1
InChIInChI=1S/C8H7BN2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5,12-13H
InChIKeyAWONZXSTLZEBCM-UHFFFAOYSA-N
MW173.97 g/mol
LogP-0.69
Rot. Bonds1

About quinoxalin-6-ylboronic acid

quinoxalin-6-ylboronic acid (PubChem CID 45073596) has the molecular formula C8H7BN2O2 and a molecular weight of 173.97 g/mol. Its IUPAC name is quinoxalin-6-ylboronic acid.

Molecular Properties

Compound Namequinoxalin-6-ylboronic acid
PubChem CID45073596
Molecular FormulaC8H7BN2O2
Molecular Weight173.97 g/mol
Exact Mass174.06
IUPAC Namequinoxalin-6-ylboronic acid
SMILESOB(O)c1ccc2nccnc2c1
InChIInChI=1S/C8H7BN2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5,12-13H
InChIKeyAWONZXSTLZEBCM-UHFFFAOYSA-N
XLogP-0.69
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.97
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinoxalin-6-ylboronic acid?
The IUPAC name of quinoxalin-6-ylboronic acid (CID 45073596) is quinoxalin-6-ylboronic acid.
What is the SMILES notation for quinoxalin-6-ylboronic acid?
The canonical SMILES for quinoxalin-6-ylboronic acid is OB(O)c1ccc2nccnc2c1.
What is the InChIKey of quinoxalin-6-ylboronic acid?
The InChIKey is AWONZXSTLZEBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BN2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5,12-13H.
What are the key properties of quinoxalin-6-ylboronic acid?
quinoxalin-6-ylboronic acid has a molecular weight of 173.97 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-6-ylboronic acid is sourced from PubChem (CID 45073596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).