potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide

C77H113B3Br3I3KN7O12 — CID 159860501

About potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide

potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide (PubChem CID 159860501) has the molecular formula C77H113B3Br3I3KN7O12 and a molecular weight of 2020.75 g/mol. Its IUPAC name is potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide.

Molecular Properties

• Compound Name: potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide
• PubChem CID: 159860501
• Molecular Formula: C77H113B3Br3I3KN7O12
• Molecular Weight: 2020.75 g/mol
• Exact Mass: 2017.30
• IUPAC Name: potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide
• SMILES: Brc1cnc(I)nc1.C.C.C.CC(=O)c1ccc2c(C3CCCC3)c(-c3ncc(Br)cn3)n(C)c2c1.CC(=O)c1ccc2c(C3CCCC3)c(B3OC(C)(C)C(C)(C)O3)n(C)c2c1.CC(=O)c1ccc2c(C3CCCC3)c(Br)n(C)c2c1.CC(C)(O)C(C)(C)O.CC1(C)OBOC1(C)C.I.OB(O)O.[I-].[K+]
• InChI: InChI=1S/C22H30BNO3.C20H20BrN3O.C16H18BrNO.C6H13BO2.C6H14O2.C4H2BrIN2.3CH4.BH3O3.2HI.K/c1-14(25)16-11-12-17-18(13-16)24(6)20(19(17)15-9-7-8-10-15)23-26-21(2,3)22(4,5)27-23;1-12(25)14-7-8-16-17(9-14)24(2)19(18(16)13-5-3-4-6-13)20-22-10-15(21)11-23-20;1-10(19)12-7-8-13-14(9-12)18(2)16(17)15(13)11-5-3-4-6-11;1-5(2)6(3,4)9-7-8-5;1-5(2,7)6(3,4)8;5-3-1-7-4(6)8-2-3;;;;2-1(3)4;;;/h11-13,15H,7-10H2,1-6H3;7-11,13H,3-6H2,1-2H3;7-9,11H,3-6H2,1-2H3;7H,1-4H3;7-8H,1-4H3;1-2H;3*1H4;2-4H;2*1H;/q;;;;;;;;;;;;+1/p-1
• InChIKey: GLKVCDXTRLRHGL-UHFFFAOYSA-M
• XLogP: 12.11
• TPSA: 255.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.75
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', '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 potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide?

The IUPAC name of potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide (CID 159860501) is potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide.

What is the SMILES notation for potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide?

The canonical SMILES for potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide is Brc1cnc(I)nc1.C.C.C.CC(=O)c1ccc2c(C3CCCC3)c(-c3ncc(Br)cn3)n(C)c2c1.CC(=O)c1ccc2c(C3CCCC3)c(B3OC(C)(C)C(C)(C)O3)n(C)c2c1.CC(=O)c1ccc2c(C3CCCC3)c(Br)n(C)c2c1.CC(C)(O)C(C)(C)O.CC1(C)OBOC1(C)C.I.OB(O)O.[I-].[K+].

What is the InChIKey of potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide?

The InChIKey is GLKVCDXTRLRHGL-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H30BNO3.C20H20BrN3O.C16H18BrNO.C6H13BO2.C6H14O2.C4H2BrIN2.3CH4.BH3O3.2HI.K/c1-14(25)16-11-12-17-18(13-16)24(6)20(19(17)15-9-7-8-10-15)23-26-21(2,3)22(4,5)27-23;1-12(25)14-7-8-16-17(9-14)24(2)19(18(16)13-5-3-4-6-13)20-22-10-15(21)11-23-20;1-10(19)12-7-8-13-14(9-12)18(2)16(17)15(13)11-5-3-4-6-11;1-5(2)6(3,4)9-7-8-5;1-5(2,7)6(3,4)8;5-3-1-7-4(6)8-2-3;;;;2-1(3)4;;;/h11-13,15H,7-10H2,1-6H3;7-11,13H,3-6H2,1-2H3;7-9,11H,3-6H2,1-2H3;7H,1-4H3;7-8H,1-4H3;1-2H;3*1H4;2-4H;2*1H;/q;;;;;;;;;;;;+1/p-1.

What are the key properties of potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide?

potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide has a molecular weight of 2020.75 g/mol, XLogP of 12.11, 9 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;boric acid;1-(2-bromo-3-cyclopentyl-1-methylindol-6-yl)ethanone;5-bromo-2-iodopyrimidine;1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;1-[3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]ethanone;2,3-dimethylbutane-2,3-diol;methane;4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodide;hydroiodide is sourced from PubChem (CID 159860501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).