pyridin-3-ylboronic acid

C5H6BNO2 — CID 2734378

IUPACpyridin-3-ylboronic acid
SMILESOB(O)c1cccnc1
InChIInChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H
InChIKeyABMYEXAYWZJVOV-UHFFFAOYSA-N
MW122.92 g/mol
LogP-1.24
Rot. Bonds1

About pyridin-3-ylboronic acid

pyridin-3-ylboronic acid (PubChem CID 2734378) has the molecular formula C5H6BNO2 and a molecular weight of 122.92 g/mol. Its IUPAC name is pyridin-3-ylboronic acid.

Molecular Properties

Compound Namepyridin-3-ylboronic acid
PubChem CID2734378
Molecular FormulaC5H6BNO2
Molecular Weight122.92 g/mol
Exact Mass123.05
IUPAC Namepyridin-3-ylboronic acid
SMILESOB(O)c1cccnc1
InChIInChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H
InChIKeyABMYEXAYWZJVOV-UHFFFAOYSA-N
XLogP-1.24
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.92
LogP ≤ 5-1.24
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 pyridin-3-ylboronic acid?
The IUPAC name of pyridin-3-ylboronic acid (CID 2734378) is pyridin-3-ylboronic acid.
What is the SMILES notation for pyridin-3-ylboronic acid?
The canonical SMILES for pyridin-3-ylboronic acid is OB(O)c1cccnc1.
What is the InChIKey of pyridin-3-ylboronic acid?
The InChIKey is ABMYEXAYWZJVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H.
What are the key properties of pyridin-3-ylboronic acid?
pyridin-3-ylboronic acid has a molecular weight of 122.92 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylboronic acid is sourced from PubChem (CID 2734378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).