[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid

C21H16BN3O2 — CID 156900610

IUPAC[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H16BN3O2/c26-22(27)17-11-9-16(10-12-17)21-24-19(15-6-2-1-3-7-15)14-20(25-21)18-8-4-5-13-23-18/h1-14,26-27H
InChIKeyQNLQYDAEHDRKPJ-UHFFFAOYSA-N
MW353.19 g/mol
LogP2.55
Rot. Bonds4

About [4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid

[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid (PubChem CID 156900610) has the molecular formula C21H16BN3O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is [4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid
PubChem CID156900610
Molecular FormulaC21H16BN3O2
Molecular Weight353.19 g/mol
Exact Mass353.13
IUPAC Name[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H16BN3O2/c26-22(27)17-11-9-16(10-12-17)21-24-19(15-6-2-1-3-7-15)14-20(25-21)18-8-4-5-13-23-18/h1-14,26-27H
InChIKeyQNLQYDAEHDRKPJ-UHFFFAOYSA-N
XLogP2.55
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]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

Related Compounds

2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 158427780
1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone
CID 164780913
[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]boronic acid
CID 156900613
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
2,4-diphenyl-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine
CID 167549240

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid?
The IUPAC name of [4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid (CID 156900610) is [4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid?
The canonical SMILES for [4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid is OB(O)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of [4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid?
The InChIKey is QNLQYDAEHDRKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BN3O2/c26-22(27)17-11-9-16(10-12-17)21-24-19(15-6-2-1-3-7-15)14-20(25-21)18-8-4-5-13-23-18/h1-14,26-27H.
What are the key properties of [4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid?
[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid has a molecular weight of 353.19 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid is sourced from PubChem (CID 156900610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).