pyridin-2-yloxyboronic acid

C5H6BNO3 — CID 23137191

IUPACpyridin-2-yloxyboronic acid
SMILESOB(O)Oc1ccccn1
InChIInChI=1S/C5H6BNO3/c8-6(9)10-5-3-1-2-4-7-5/h1-4,8-9H
InChIKeyYRPMGVDYZGWOPA-UHFFFAOYSA-N
MW138.92 g/mol
LogP-0.57
Rot. Bonds2

About pyridin-2-yloxyboronic acid

pyridin-2-yloxyboronic acid (PubChem CID 23137191) has the molecular formula C5H6BNO3 and a molecular weight of 138.92 g/mol. Its IUPAC name is pyridin-2-yloxyboronic acid.

Molecular Properties

Compound Namepyridin-2-yloxyboronic acid
PubChem CID23137191
Molecular FormulaC5H6BNO3
Molecular Weight138.92 g/mol
Exact Mass139.04
IUPAC Namepyridin-2-yloxyboronic acid
SMILESOB(O)Oc1ccccn1
InChIInChI=1S/C5H6BNO3/c8-6(9)10-5-3-1-2-4-7-5/h1-4,8-9H
InChIKeyYRPMGVDYZGWOPA-UHFFFAOYSA-N
XLogP-0.57
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.92
LogP ≤ 5-0.57
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 pyridin-2-yloxyboronic acid?
The IUPAC name of pyridin-2-yloxyboronic acid (CID 23137191) is pyridin-2-yloxyboronic acid.
What is the SMILES notation for pyridin-2-yloxyboronic acid?
The canonical SMILES for pyridin-2-yloxyboronic acid is OB(O)Oc1ccccn1.
What is the InChIKey of pyridin-2-yloxyboronic acid?
The InChIKey is YRPMGVDYZGWOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BNO3/c8-6(9)10-5-3-1-2-4-7-5/h1-4,8-9H.
What are the key properties of pyridin-2-yloxyboronic acid?
pyridin-2-yloxyboronic acid has a molecular weight of 138.92 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yloxyboronic acid is sourced from PubChem (CID 23137191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).