(2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine

C107H103B2Br2ClIN7O4 — CID 157325910

About (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine

(2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 157325910) has the molecular formula C107H103B2Br2ClIN7O4 and a molecular weight of 1894.83 g/mol. Its IUPAC name is (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
• PubChem CID: 157325910
• Molecular Formula: C107H103B2Br2ClIN7O4
• Molecular Weight: 1894.83 g/mol
• Exact Mass: 1891.54
• IUPAC Name: (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
• SMILES: Brc1cc(I)ccn1.CC(C)=Cc1ccnc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(C=C(C)C)ccn4)c3)c2)c1.CC(C)=Cc1ccnc(-c2cccc(Br)c2)c1.CC(C)=Cc1ccnc(Cl)c1.CC(C)Cc1ccnc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(CC(C)C)ccn4)c3)c2)c1.OB(O)c1ccccc1B(O)O
• InChI: InChI=1S/C36H36N2.C36H32N2.C15H14BrN.C9H10ClN.C6H8B2O4.C5H3BrIN/c2*1-25(2)19-27-15-17-37-35(21-27)31-11-7-9-29(23-31)33-13-5-6-14-34(33)30-10-8-12-32(24-30)36-22-28(16-18-38-36)20-26(3)4;1-11(2)8-12-6-7-17-15(9-12)13-4-3-5-14(16)10-13;1-7(2)5-8-3-4-11-9(10)6-8;9-7(10)5-3-1-2-4-6(5)8(11)12;6-5-3-4(7)1-2-8-5/h5-18,21-26H,19-20H2,1-4H3;5-24H,1-4H3;3-10H,1-2H3;3-6H,1-2H3;1-4,9-12H;1-3H
• InChIKey: BESHAMARKPECPK-UHFFFAOYSA-N
• XLogP: 27.12
• TPSA: 171.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.83
LogP ≤ 5	27.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?

The IUPAC name of (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine (CID 157325910) is (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine.

What is the SMILES notation for (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?

The canonical SMILES for (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine is Brc1cc(I)ccn1.CC(C)=Cc1ccnc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(C=C(C)C)ccn4)c3)c2)c1.CC(C)=Cc1ccnc(-c2cccc(Br)c2)c1.CC(C)=Cc1ccnc(Cl)c1.CC(C)Cc1ccnc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(CC(C)C)ccn4)c3)c2)c1.OB(O)c1ccccc1B(O)O.

What is the InChIKey of (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?

The InChIKey is BESHAMARKPECPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2.C36H32N2.C15H14BrN.C9H10ClN.C6H8B2O4.C5H3BrIN/c2*1-25(2)19-27-15-17-37-35(21-27)31-11-7-9-29(23-31)33-13-5-6-14-34(33)30-10-8-12-32(24-30)36-22-28(16-18-38-36)20-26(3)4;1-11(2)8-12-6-7-17-15(9-12)13-4-3-5-14(16)10-13;1-7(2)5-8-3-4-11-9(10)6-8;9-7(10)5-3-1-2-4-6(5)8(11)12;6-5-3-4(7)1-2-8-5/h5-18,21-26H,19-20H2,1-4H3;5-24H,1-4H3;3-10H,1-2H3;3-6H,1-2H3;1-4,9-12H;1-3H.

What are the key properties of (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?

(2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 1894.83 g/mol, XLogP of 27.12, 19 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2-boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 157325910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).