3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine

C85H68BBr3N6O6 — CID 158342540

About 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine

3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine (PubChem CID 158342540) has the molecular formula C85H68BBr3N6O6 and a molecular weight of 1520.04 g/mol. Its IUPAC name is 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine.

Molecular Properties

• Compound Name: 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine
• PubChem CID: 158342540
• Molecular Formula: C85H68BBr3N6O6
• Molecular Weight: 1520.04 g/mol
• Exact Mass: 1516.28
• IUPAC Name: 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine
• SMILES: Brc1cc(-c2ccccc2)ccn1.Brc1cccc(Oc2cc(-c3ccccc3)ccn2)c1.CC1(C)OB(c2cccc(Oc3cc(-c4ccccc4)ccn3)c2)OC1(C)C.Oc1cccc(Br)c1.c1ccc(-c2ccnc(Oc3cccc(-c4ccc5c(n4)[nH]c4ccccc45)c3)c2)cc1
• InChI: InChI=1S/C28H19N3O.C23H24BNO3.C17H12BrNO.C11H8BrN.C6H5BrO/c1-2-7-19(8-3-1)20-15-16-29-27(18-20)32-22-10-6-9-21(17-22)25-14-13-24-23-11-4-5-12-26(23)31-28(24)30-25;1-22(2)23(3,4)28-24(27-22)19-11-8-12-20(16-19)26-21-15-18(13-14-25-21)17-9-6-5-7-10-17;18-15-7-4-8-16(12-15)20-17-11-14(9-10-19-17)13-5-2-1-3-6-13;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;7-5-2-1-3-6(8)4-5/h1-18H,(H,30,31);5-16H,1-4H3;1-12H;1-8H;1-4,8H
• InChIKey: GRIIHKFGYVCUOW-UHFFFAOYSA-N
• XLogP: 23.05
• TPSA: 146.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1520.04
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	2
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'}

Frequently Asked Questions

What is the IUPAC name of 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine?

The IUPAC name of 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine (CID 158342540) is 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine.

What is the SMILES notation for 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine?

The canonical SMILES for 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine is Brc1cc(-c2ccccc2)ccn1.Brc1cccc(Oc2cc(-c3ccccc3)ccn2)c1.CC1(C)OB(c2cccc(Oc3cc(-c4ccccc4)ccn3)c2)OC1(C)C.Oc1cccc(Br)c1.c1ccc(-c2ccnc(Oc3cccc(-c4ccc5c(n4)[nH]c4ccccc45)c3)c2)cc1.

What is the InChIKey of 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine?

The InChIKey is GRIIHKFGYVCUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O.C23H24BNO3.C17H12BrNO.C11H8BrN.C6H5BrO/c1-2-7-19(8-3-1)20-15-16-29-27(18-20)32-22-10-6-9-21(17-22)25-14-13-24-23-11-4-5-12-26(23)31-28(24)30-25;1-22(2)23(3,4)28-24(27-22)19-11-8-12-20(16-19)26-21-15-18(13-14-25-21)17-9-6-5-7-10-17;18-15-7-4-8-16(12-15)20-17-11-14(9-10-19-17)13-5-2-1-3-6-13;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;7-5-2-1-3-6(8)4-5/h1-18H,(H,30,31);5-16H,1-4H3;1-12H;1-8H;1-4,8H.

What are the key properties of 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine?

3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine has a molecular weight of 1520.04 g/mol, XLogP of 23.05, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine is sourced from PubChem (CID 158342540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).