phenyl(pyridin-2-yloxy)borinic acid

C11H10BNO2 — CID 69283495

IUPACphenyl(pyridin-2-yloxy)borinic acid
SMILESOB(Oc1ccccn1)c1ccccc1
InChIInChI=1S/C11H10BNO2/c14-12(10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9,14H
InChIKeyKIGKSLBMFOQYGK-UHFFFAOYSA-N
MW199.02 g/mol
LogP0.85
Rot. Bonds3

About phenyl(pyridin-2-yloxy)borinic acid

phenyl(pyridin-2-yloxy)borinic acid (PubChem CID 69283495) has the molecular formula C11H10BNO2 and a molecular weight of 199.02 g/mol. Its IUPAC name is phenyl(pyridin-2-yloxy)borinic acid.

Molecular Properties

Compound Namephenyl(pyridin-2-yloxy)borinic acid
PubChem CID69283495
Molecular FormulaC11H10BNO2
Molecular Weight199.02 g/mol
Exact Mass199.08
IUPAC Namephenyl(pyridin-2-yloxy)borinic acid
SMILESOB(Oc1ccccn1)c1ccccc1
InChIInChI=1S/C11H10BNO2/c14-12(10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9,14H
InChIKeyKIGKSLBMFOQYGK-UHFFFAOYSA-N
XLogP0.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 50.85
H-Bond Donors ≤ 51
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 phenyl(pyridin-2-yloxy)borinic acid?
The IUPAC name of phenyl(pyridin-2-yloxy)borinic acid (CID 69283495) is phenyl(pyridin-2-yloxy)borinic acid.
What is the SMILES notation for phenyl(pyridin-2-yloxy)borinic acid?
The canonical SMILES for phenyl(pyridin-2-yloxy)borinic acid is OB(Oc1ccccn1)c1ccccc1.
What is the InChIKey of phenyl(pyridin-2-yloxy)borinic acid?
The InChIKey is KIGKSLBMFOQYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BNO2/c14-12(10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9,14H.
What are the key properties of phenyl(pyridin-2-yloxy)borinic acid?
phenyl(pyridin-2-yloxy)borinic acid has a molecular weight of 199.02 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyridin-2-yloxy)borinic acid is sourced from PubChem (CID 69283495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).