[3-(4-phenylphenyl)-2-pyridinyl]boronic acid

C17H14BNO2 — CID 141410778

IUPAC[3-(4-phenylphenyl)-2-pyridinyl]boronic acid
SMILESOB(O)c1ncccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H14BNO2/c20-18(21)17-16(7-4-12-19-17)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,20-21H
InChIKeyFNCKJJSYNUKMFI-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.10
Rot. Bonds3

About [3-(4-phenylphenyl)-2-pyridinyl]boronic acid

[3-(4-phenylphenyl)-2-pyridinyl]boronic acid (PubChem CID 141410778) has the molecular formula C17H14BNO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is [3-(4-phenylphenyl)-2-pyridinyl]boronic acid.

Molecular Properties

Compound Name[3-(4-phenylphenyl)-2-pyridinyl]boronic acid
PubChem CID141410778
Molecular FormulaC17H14BNO2
Molecular Weight275.12 g/mol
Exact Mass275.11
IUPAC Name[3-(4-phenylphenyl)-2-pyridinyl]boronic acid
SMILESOB(O)c1ncccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H14BNO2/c20-18(21)17-16(7-4-12-19-17)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,20-21H
InChIKeyFNCKJJSYNUKMFI-UHFFFAOYSA-N
XLogP2.10
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [3-(4-phenylphenyl)-2-pyridinyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenylphenyl)-2-pyridinyl]boronic acid?
The IUPAC name of [3-(4-phenylphenyl)-2-pyridinyl]boronic acid (CID 141410778) is [3-(4-phenylphenyl)-2-pyridinyl]boronic acid.
What is the SMILES notation for [3-(4-phenylphenyl)-2-pyridinyl]boronic acid?
The canonical SMILES for [3-(4-phenylphenyl)-2-pyridinyl]boronic acid is OB(O)c1ncccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [3-(4-phenylphenyl)-2-pyridinyl]boronic acid?
The InChIKey is FNCKJJSYNUKMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BNO2/c20-18(21)17-16(7-4-12-19-17)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,20-21H.
What are the key properties of [3-(4-phenylphenyl)-2-pyridinyl]boronic acid?
[3-(4-phenylphenyl)-2-pyridinyl]boronic acid has a molecular weight of 275.12 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenylphenyl)-2-pyridinyl]boronic acid is sourced from PubChem (CID 141410778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).