phenoxy-(5-phenyl-3-pyridinyl)borinic acid

C17H14BNO2 — CID 155668747

IUPACphenoxy-(5-phenyl-3-pyridinyl)borinic acid
SMILESOB(Oc1ccccc1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C17H14BNO2/c20-18(21-17-9-5-2-6-10-17)16-11-15(12-19-13-16)14-7-3-1-4-8-14/h1-13,20H
InChIKeyHMZHGCNAYRLTFY-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.52
Rot. Bonds4

About phenoxy-(5-phenyl-3-pyridinyl)borinic acid

phenoxy-(5-phenyl-3-pyridinyl)borinic acid (PubChem CID 155668747) has the molecular formula C17H14BNO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is phenoxy-(5-phenyl-3-pyridinyl)borinic acid.

Molecular Properties

Compound Namephenoxy-(5-phenyl-3-pyridinyl)borinic acid
PubChem CID155668747
Molecular FormulaC17H14BNO2
Molecular Weight275.12 g/mol
Exact Mass275.11
IUPAC Namephenoxy-(5-phenyl-3-pyridinyl)borinic acid
SMILESOB(Oc1ccccc1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C17H14BNO2/c20-18(21-17-9-5-2-6-10-17)16-11-15(12-19-13-16)14-7-3-1-4-8-14/h1-13,20H
InChIKeyHMZHGCNAYRLTFY-UHFFFAOYSA-N
XLogP2.52
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.52
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 phenoxy-(5-phenyl-3-pyridinyl)borinic acid?
The IUPAC name of phenoxy-(5-phenyl-3-pyridinyl)borinic acid (CID 155668747) is phenoxy-(5-phenyl-3-pyridinyl)borinic acid.
What is the SMILES notation for phenoxy-(5-phenyl-3-pyridinyl)borinic acid?
The canonical SMILES for phenoxy-(5-phenyl-3-pyridinyl)borinic acid is OB(Oc1ccccc1)c1cncc(-c2ccccc2)c1.
What is the InChIKey of phenoxy-(5-phenyl-3-pyridinyl)borinic acid?
The InChIKey is HMZHGCNAYRLTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BNO2/c20-18(21-17-9-5-2-6-10-17)16-11-15(12-19-13-16)14-7-3-1-4-8-14/h1-13,20H.
What are the key properties of phenoxy-(5-phenyl-3-pyridinyl)borinic acid?
phenoxy-(5-phenyl-3-pyridinyl)borinic acid has a molecular weight of 275.12 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy-(5-phenyl-3-pyridinyl)borinic acid is sourced from PubChem (CID 155668747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).