5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid

C72H48BBr3N4O10 — CID 159563204

About 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid

5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 159563204) has the molecular formula C72H48BBr3N4O10 and a molecular weight of 1379.72 g/mol. Its IUPAC name is 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid
• PubChem CID: 159563204
• Molecular Formula: C72H48BBr3N4O10
• Molecular Weight: 1379.72 g/mol
• Exact Mass: 1376.10
• IUPAC Name: 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid
• SMILES: O=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3Br)cc(-c3ccccc3-c3ccc(C(=O)O)nc3)c2)cn1.O=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3Br)cc(-c3ccccc3Br)c2)cn1.O=C(O)c1ccc(B(O)O)cn1
• InChI: InChI=1S/C36H23BrN2O4.C30H19Br2NO2.C6H6BNO4/c37-32-12-6-5-11-31(32)26-18-24(29-9-3-1-7-27(29)22-13-15-33(35(40)41)38-20-22)17-25(19-26)30-10-4-2-8-28(30)23-14-16-34(36(42)43)39-21-23;31-27-11-5-3-9-25(27)21-15-20(16-22(17-21)26-10-4-6-12-28(26)32)24-8-2-1-7-23(24)19-13-14-29(30(34)35)33-18-19;9-6(10)5-2-1-4(3-8-5)7(11)12/h1-21H,(H,40,41)(H,42,43);1-18H,(H,34,35);1-3,11-12H,(H,9,10)
• InChIKey: MGWNWQSLPZSXJW-UHFFFAOYSA-N
• XLogP: 16.40
• TPSA: 241.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1379.72
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?

The IUPAC name of 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid (CID 159563204) is 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid.

What is the SMILES notation for 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?

The canonical SMILES for 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3Br)cc(-c3ccccc3-c3ccc(C(=O)O)nc3)c2)cn1.O=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3Br)cc(-c3ccccc3Br)c2)cn1.O=C(O)c1ccc(B(O)O)cn1.

What is the InChIKey of 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?

The InChIKey is MGWNWQSLPZSXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrN2O4.C30H19Br2NO2.C6H6BNO4/c37-32-12-6-5-11-31(32)26-18-24(29-9-3-1-7-27(29)22-13-15-33(35(40)41)38-20-22)17-25(19-26)30-10-4-2-8-28(30)23-14-16-34(36(42)43)39-21-23;31-27-11-5-3-9-25(27)21-15-20(16-22(17-21)26-10-4-6-12-28(26)32)24-8-2-1-7-23(24)19-13-14-29(30(34)35)33-18-19;9-6(10)5-2-1-4(3-8-5)7(11)12/h1-21H,(H,40,41)(H,42,43);1-18H,(H,34,35);1-3,11-12H,(H,9,10).

What are the key properties of 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?

5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 1379.72 g/mol, XLogP of 16.40, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid;5-boronopyridine-2-carboxylic acid;5-[2-[3-(2-bromophenyl)-5-[2-(6-carboxy-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 159563204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).