3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C36H52B3Br2F3IN3O6Pd — CID 158151210

About 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158151210) has the molecular formula C36H52B3Br2F3IN3O6Pd and a molecular weight of 1105.39 g/mol. Its IUPAC name is 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;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: 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158151210
• Molecular Formula: C36H52B3Br2F3IN3O6Pd
• Molecular Weight: 1105.39 g/mol
• Exact Mass: 1103.05
• IUPAC Name: 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CI.Cc1c(F)cncc1B1OC(C)(C)C(C)(C)O1.Cc1c(F)cncc1Br.Fc1cncc(Br)c1.[Pd]
• InChI: InChI=1S/C12H24B2O4.C12H17BFNO2.C6H5BrFN.C5H3BrFN.CH3I.Pd/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-9(6-15-7-10(8)14)13-16-11(2,3)12(4,5)17-13;1-4-5(7)2-9-3-6(4)8;6-4-1-5(7)3-8-2-4;1-2;/h1-8H3;6-7H,1-5H3;2-3H,1H3;1-3H;1H3
• InChIKey: FVDCFBYOKGANTK-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 94.05 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.39
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', '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 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;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 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158151210) is 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;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 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;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 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CI.Cc1c(F)cncc1B1OC(C)(C)C(C)(C)O1.Cc1c(F)cncc1Br.Fc1cncc(Br)c1.[Pd].

What is the InChIKey of 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is FVDCFBYOKGANTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B2O4.C12H17BFNO2.C6H5BrFN.C5H3BrFN.CH3I.Pd/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-9(6-15-7-10(8)14)13-16-11(2,3)12(4,5)17-13;1-4-5(7)2-9-3-6(4)8;6-4-1-5(7)3-8-2-4;1-2;/h1-8H3;6-7H,1-5H3;2-3H,1H3;1-3H;1H3;.

What are the key properties of 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;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 1105.39 g/mol, XLogP of 9.40, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-fluoro-4-methylpyridine;3-bromo-5-fluoropyridine;3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;iodomethane;palladium;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 158151210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).