2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C66H56BBr3N2O2 — CID 157201075

IUPAC2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(Br)cc(-c3ccccc3)c2)OC1(C)C.Cc1cnc(-c2cc(Br)cc(-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1.Cc1cnc(Br)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H22BrN.C18H20BBrO2.C18H14BrN/c1-21-20-32-30(27-16-26(17-28(31)18-27)23-10-6-3-7-11-23)19-29(21)25-14-12-24(13-15-25)22-8-4-2-5-9-22;1-17(2)18(3,4)22-19(21-17)15-10-14(11-16(20)12-15)13-8-6-5-7-9-13;1-13-12-20-18(19)11-17(13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-20H,1H3;5-12H,1-4H3;2-12H,1H3
InChIKeyAQUNLLFKRMXTSX-UHFFFAOYSA-N
MW1159.71 g/mol
LogP18.72
Rot. Bonds8

About 2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 157201075) has the molecular formula C66H56BBr3N2O2 and a molecular weight of 1159.71 g/mol. Its IUPAC name is 2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID157201075
Molecular FormulaC66H56BBr3N2O2
Molecular Weight1159.71 g/mol
Exact Mass1156.20
IUPAC Name2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(Br)cc(-c3ccccc3)c2)OC1(C)C.Cc1cnc(-c2cc(Br)cc(-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1.Cc1cnc(Br)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H22BrN.C18H20BBrO2.C18H14BrN/c1-21-20-32-30(27-16-26(17-28(31)18-27)23-10-6-3-7-11-23)19-29(21)25-14-12-24(13-15-25)22-8-4-2-5-9-22;1-17(2)18(3,4)22-19(21-17)15-10-14(11-16(20)12-15)13-8-6-5-7-9-13;1-13-12-20-18(19)11-17(13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-20H,1H3;5-12H,1-4H3;2-12H,1H3
InChIKeyAQUNLLFKRMXTSX-UHFFFAOYSA-N
XLogP18.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.71
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

5-(4-Fluorophenyl)-2-[4-[2-[3-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methylpyridine
CID 141674046
(6-Methyl-3-pyridinyl)boronic acid;2-[3-[3-[3-(6-methyl-3-pyridinyl)phenyl]-5-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;1,3,5-tris(3-bromophenyl)benzene
CID 157242619
5-Bromo-2-methylpyridine;methane;2-methyl-5-[3-(trifluoromethyl)phenyl]pyridine;[3-(trifluoromethyl)phenyl]boronic acid
CID 159639875
5-Bromo-2-methylpyridine;2-methyl-5-[3-(trifluoromethyl)phenyl]pyridine;[3-(trifluoromethyl)phenyl]boronic acid
CID 159767713
4-Bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)quinoline
CID 160009468
4-(3-Bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline;3-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-(trifluoromethyl)quinoline
CID 160246527
2-Bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane)
CID 161100605
2-(4-Fluorophenyl)-5-[2-[3-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-4-methylpyridine
CID 165148586
2-(4-Fluorophenyl)-5-[2-[3-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]pyridine
CID 165148701
2-(2,4-Difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]pyridine
CID 165148819
4-(3-Bromophenyl)-6-p-tolyl-2,2'-bipyridine
CID 139238581
10,10'-Dibromo-2,2'-di(pyridin-2-yl)-9,9'-bianthryl
CID 172433031

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 157201075) is 2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cc(Br)cc(-c3ccccc3)c2)OC1(C)C.Cc1cnc(-c2cc(Br)cc(-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1.Cc1cnc(Br)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AQUNLLFKRMXTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BrN.C18H20BBrO2.C18H14BrN/c1-21-20-32-30(27-16-26(17-28(31)18-27)23-10-6-3-7-11-23)19-29(21)25-14-12-24(13-15-25)22-8-4-2-5-9-22;1-17(2)18(3,4)22-19(21-17)15-10-14(11-16(20)12-15)13-8-6-5-7-9-13;1-13-12-20-18(19)11-17(13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-20H,1H3;5-12H,1-4H3;2-12H,1H3.
What are the key properties of 2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1159.71 g/mol, XLogP of 18.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 157201075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).