(2-oxoindol-5-yl)boronic acid

C8H6BNO3 — CID 142726842

IUPAC(2-oxoindol-5-yl)boronic acid
SMILESO=C1C=c2cc(B(O)O)ccc2=N1
InChIInChI=1S/C8H6BNO3/c11-8-4-5-3-6(9(12)13)1-2-7(5)10-8/h1-4,12-13H
InChIKeySPLJHDOKRQAKGM-UHFFFAOYSA-N
MW174.95 g/mol
LogP-2.69
Rot. Bonds1

About (2-oxoindol-5-yl)boronic acid

(2-oxoindol-5-yl)boronic acid (PubChem CID 142726842) has the molecular formula C8H6BNO3 and a molecular weight of 174.95 g/mol. Its IUPAC name is (2-oxoindol-5-yl)boronic acid.

Molecular Properties

Compound Name(2-oxoindol-5-yl)boronic acid
PubChem CID142726842
Molecular FormulaC8H6BNO3
Molecular Weight174.95 g/mol
Exact Mass175.04
IUPAC Name(2-oxoindol-5-yl)boronic acid
SMILESO=C1C=c2cc(B(O)O)ccc2=N1
InChIInChI=1S/C8H6BNO3/c11-8-4-5-3-6(9(12)13)1-2-7(5)10-8/h1-4,12-13H
InChIKeySPLJHDOKRQAKGM-UHFFFAOYSA-N
XLogP-2.69
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.95
LogP ≤ 5-2.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2-oxoindol-5-yl)boronic acid?
The IUPAC name of (2-oxoindol-5-yl)boronic acid (CID 142726842) is (2-oxoindol-5-yl)boronic acid.
What is the SMILES notation for (2-oxoindol-5-yl)boronic acid?
The canonical SMILES for (2-oxoindol-5-yl)boronic acid is O=C1C=c2cc(B(O)O)ccc2=N1.
What is the InChIKey of (2-oxoindol-5-yl)boronic acid?
The InChIKey is SPLJHDOKRQAKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BNO3/c11-8-4-5-3-6(9(12)13)1-2-7(5)10-8/h1-4,12-13H.
What are the key properties of (2-oxoindol-5-yl)boronic acid?
(2-oxoindol-5-yl)boronic acid has a molecular weight of 174.95 g/mol, XLogP of -2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoindol-5-yl)boronic acid is sourced from PubChem (CID 142726842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).