lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide

C46H47BBrCl2F4LiN2O3 — CID 159480205

About lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide

lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide (PubChem CID 159480205) has the molecular formula C46H47BBrCl2F4LiN2O3 and a molecular weight of 920.45 g/mol. Its IUPAC name is lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide.

Molecular Properties

• Compound Name: lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide
• PubChem CID: 159480205
• Molecular Formula: C46H47BBrCl2F4LiN2O3
• Molecular Weight: 920.45 g/mol
• Exact Mass: 918.23
• IUPAC Name: lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide
• SMILES: CC.Cc1cc(Cl)cc(C)c1-c1ccc(-c2ccc(F)cc2F)nc1.Cc1cc(Cl)cc(C)c1B1OC(C)(C)C(C)(C)O1.Fc1ccc(-c2ccc(Br)cn2)c(F)c1.[Li+].[OH-]
• InChI: InChI=1S/C19H14ClF2N.C14H20BClO2.C11H6BrF2N.C2H6.Li.H2O/c1-11-7-14(20)8-12(2)19(11)13-3-6-18(23-10-13)16-5-4-15(21)9-17(16)22;1-9-7-11(16)8-10(2)12(9)15-17-13(3,4)14(5,6)18-15;12-7-1-4-11(15-6-7)9-3-2-8(13)5-10(9)14;1-2;;/h3-10H,1-2H3;7-8H,1-6H3;1-6H;1-2H3;;1H2/q;;;;+1;/p-1
• InChIKey: LWXGFBNTHKSQCV-UHFFFAOYSA-M
• XLogP: 10.86
• TPSA: 74.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.45
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide?

The IUPAC name of lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide (CID 159480205) is lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide.

What is the SMILES notation for lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide?

The canonical SMILES for lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide is CC.Cc1cc(Cl)cc(C)c1-c1ccc(-c2ccc(F)cc2F)nc1.Cc1cc(Cl)cc(C)c1B1OC(C)(C)C(C)(C)O1.Fc1ccc(-c2ccc(Br)cn2)c(F)c1.[Li+].[OH-].

What is the InChIKey of lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide?

The InChIKey is LWXGFBNTHKSQCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14ClF2N.C14H20BClO2.C11H6BrF2N.C2H6.Li.H2O/c1-11-7-14(20)8-12(2)19(11)13-3-6-18(23-10-13)16-5-4-15(21)9-17(16)22;1-9-7-11(16)8-10(2)12(9)15-17-13(3,4)14(5,6)18-15;12-7-1-4-11(15-6-7)9-3-2-8(13)5-10(9)14;1-2;;/h3-10H,1-2H3;7-8H,1-6H3;1-6H;1-2H3;;1H2/q;;;;+1;/p-1.

What are the key properties of lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide?

lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide has a molecular weight of 920.45 g/mol, XLogP of 10.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane;hydroxide is sourced from PubChem (CID 159480205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).