potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate

C58H67B3ClF4KN2O8 — CID 157356095

About potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate

potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate (PubChem CID 157356095) has the molecular formula C58H67B3ClF4KN2O8 and a molecular weight of 1103.16 g/mol. Its IUPAC name is potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate.

Molecular Properties

• Compound Name: potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate
• PubChem CID: 157356095
• Molecular Formula: C58H67B3ClF4KN2O8
• Molecular Weight: 1103.16 g/mol
• Exact Mass: 1102.44
• IUPAC Name: potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate
• SMILES: CC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1-c1ccc(-c2ccc(F)cc2F)nc1.Cc1cc(Cl)cc(C)c1-c1ccc(-c2ccc(F)cc2F)nc1.[K+]
• InChI: InChI=1S/C25H26BF2NO2.C19H14ClF2N.C12H24B2O4.C2H4O2.K/c1-15-11-18(26-30-24(3,4)25(5,6)31-26)12-16(2)23(15)17-7-10-22(29-14-17)20-9-8-19(27)13-21(20)28;1-11-7-14(20)8-12(2)19(11)13-3-6-18(23-10-13)16-5-4-15(21)9-17(16)22;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2(3)4;/h7-14H,1-6H3;3-10H,1-2H3;1-8H3;1H3,(H,3,4);/q;;;;+1/p-1
• InChIKey: BICFIXIEQUZDQK-UHFFFAOYSA-M
• XLogP: 9.58
• TPSA: 121.29 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.16
LogP ≤ 5	9.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

The IUPAC name of potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate (CID 157356095) is potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate.

What is the SMILES notation for potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

The canonical SMILES for potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate is CC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1-c1ccc(-c2ccc(F)cc2F)nc1.Cc1cc(Cl)cc(C)c1-c1ccc(-c2ccc(F)cc2F)nc1.[K+].

What is the InChIKey of potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

The InChIKey is BICFIXIEQUZDQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H26BF2NO2.C19H14ClF2N.C12H24B2O4.C2H4O2.K/c1-15-11-18(26-30-24(3,4)25(5,6)31-26)12-16(2)23(15)17-7-10-22(29-14-17)20-9-8-19(27)13-21(20)28;1-11-7-14(20)8-12(2)19(11)13-3-6-18(23-10-13)16-5-4-15(21)9-17(16)22;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2(3)4;/h7-14H,1-6H3;3-10H,1-2H3;1-8H3;1H3,(H,3,4);/q;;;;+1/p-1.

What are the key properties of potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate has a molecular weight of 1103.16 g/mol, XLogP of 9.58, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate is sourced from PubChem (CID 157356095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).