potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C46H73B4Br3KN3O8 — CID 158424404

About potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158424404) has the molecular formula C46H73B4Br3KN3O8 and a molecular weight of 1118.16 g/mol. Its IUPAC name is potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;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: potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158424404
• Molecular Formula: C46H73B4Br3KN3O8
• Molecular Weight: 1118.16 g/mol
• Exact Mass: 1115.30
• IUPAC Name: potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1c(B2OC(C)(C)C(C)(C)O2)cncc1C1CC1.Cc1c(Br)cncc1Br.Cc1c(Br)cncc1C1CC1.OB(O)C1CC1.[H-].[K+]
• InChI: InChI=1S/C15H22BNO2.C12H24B2O4.C9H10BrN.C6H5Br2N.C3H7BO2.CH4.K.H/c1-10-12(11-6-7-11)8-17-9-13(10)16-18-14(2,3)15(4,5)19-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-8(7-2-3-7)4-11-5-9(6)10;1-4-5(7)2-9-3-6(4)8;5-4(6)3-1-2-3;;;/h8-9,11H,6-7H2,1-5H3;1-8H3;4-5,7H,2-3H2,1H3;2-3H,1H3;3,5-6H,1-2H2;1H4;;/q;;;;;;+1;-1
• InChIKey: SGFAFBXLAAAFDW-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 134.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1118.16
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;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 potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158424404) is potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;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 potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;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 potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1c(B2OC(C)(C)C(C)(C)O2)cncc1C1CC1.Cc1c(Br)cncc1Br.Cc1c(Br)cncc1C1CC1.OB(O)C1CC1.[H-].[K+].

What is the InChIKey of potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is SGFAFBXLAAAFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BNO2.C12H24B2O4.C9H10BrN.C6H5Br2N.C3H7BO2.CH4.K.H/c1-10-12(11-6-7-11)8-17-9-13(10)16-18-14(2,3)15(4,5)19-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-8(7-2-3-7)4-11-5-9(6)10;1-4-5(7)2-9-3-6(4)8;5-4(6)3-1-2-3;;;/h8-9,11H,6-7H2,1-5H3;1-8H3;4-5,7H,2-3H2,1H3;2-3H,1H3;3,5-6H,1-2H2;1H4;;/q;;;;;;+1;-1.

What are the key properties of potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;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 1118.16 g/mol, XLogP of 8.14, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-bromo-5-cyclopropyl-4-methylpyridine;cyclopropylboronic acid;3-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,5-dibromo-4-methylpyridine;hydride;methane;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 158424404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).