2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C69H74B4Br3N3O8 — CID 159706523

About 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159706523) has the molecular formula C69H74B4Br3N3O8 and a molecular weight of 1356.32 g/mol. Its IUPAC name is 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159706523
• Molecular Formula: C69H74B4Br3N3O8
• Molecular Weight: 1356.32 g/mol
• Exact Mass: 1353.34
• IUPAC Name: 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cc(-c2ccccc2)cc(-c2ccccn2)c1.Brc1cc(Br)cc(-c2ccccn2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc(-c3ccccc3)cc(-c3ccccn3)c2)OC1(C)C.OB(O)c1ccccc1
• InChI: InChI=1S/C23H24BNO2.C17H12BrN.C12H24B2O4.C11H7Br2N.C6H7BO2/c1-22(2)23(3,4)27-24(26-22)20-15-18(17-10-6-5-7-11-17)14-19(16-20)21-12-8-9-13-25-21;18-16-11-14(13-6-2-1-3-7-13)10-15(12-16)17-8-4-5-9-19-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-9-5-8(6-10(13)7-9)11-3-1-2-4-14-11;8-7(9)6-4-2-1-3-5-6/h5-16H,1-4H3;1-12H;1-8H3;1-7H;1-5,8-9H
• InChIKey: MYGYYEGWMCIQQD-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 134.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1356.32
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159706523) is 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cc(-c2ccccc2)cc(-c2ccccn2)c1.Brc1cc(Br)cc(-c2ccccn2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc(-c3ccccc3)cc(-c3ccccn3)c2)OC1(C)C.OB(O)c1ccccc1.

What is the InChIKey of 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is MYGYYEGWMCIQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BNO2.C17H12BrN.C12H24B2O4.C11H7Br2N.C6H7BO2/c1-22(2)23(3,4)27-24(26-22)20-15-18(17-10-6-5-7-11-17)14-19(16-20)21-12-8-9-13-25-21;18-16-11-14(13-6-2-1-3-7-13)10-15(12-16)17-8-4-5-9-19-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-9-5-8(6-10(13)7-9)11-3-1-2-4-14-11;8-7(9)6-4-2-1-3-5-6/h5-16H,1-4H3;1-12H;1-8H3;1-7H;1-5,8-9H.

What are the key properties of 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1356.32 g/mol, XLogP of 15.78, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromo-5-phenylphenyl)pyridine;2-(3,5-dibromophenyl)pyridine;phenylboronic acid;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159706523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).