potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide

C78H84BBr5Cl3FI4KN16O4+ — CID 161092102

About potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide

potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide (PubChem CID 161092102) has the molecular formula C78H84BBr5Cl3FI4KN16O4+ and a molecular weight of 2393.05 g/mol. Its IUPAC name is potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide.

Molecular Properties

• Compound Name: potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide
• PubChem CID: 161092102
• Molecular Formula: C78H84BBr5Cl3FI4KN16O4+
• Molecular Weight: 2393.05 g/mol
• Exact Mass: 2385.78
• IUPAC Name: potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide
• SMILES: Brc1ccc2[nH]ncc2c1.Brc1ccc2n[nH]c(I)c2c1.C.C1CCOC1.C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)C1=c2cc(Br)ccc2=N[N+]1=C.C=C(C)c1c2cc(-c3ccnc(Cl)n3)ccc2nn1C.C=C(C)c1c2cc(Br)ccc2nn1C.Clc1ccnc(Cl)n1.Cn1nc2ccc(Br)cc2c1I.II.[2H]CF.[K+].[OH-]
• InChI: InChI=1S/C15H13ClN4.C11H11BrN2.C11H10BrN2.C9H17BO2.C8H6BrIN2.C7H4BrIN2.C7H5BrN2.C4H2Cl2N2.C4H8O.CH3F.CH4.I2.K.H2O/c1-9(2)14-11-8-10(4-5-13(11)19-20(14)3)12-6-7-17-15(16)18-12;2*1-7(2)11-9-6-8(12)4-5-10(9)13-14(11)3;1-7(2)10-11-8(3,4)9(5,6)12-10;1-12-8(10)6-4-5(9)2-3-7(6)11-12;8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;1-2;;1-2;;/h4-8H,1H2,2-3H3;4-6H,1H2,2-3H3;4-6H,1,3H2,2H3;1H2,2-6H3;2-4H,1H3;1-3H,(H,10,11);1-4H,(H,9,10);1-2H;1-4H2;1H3;1H4;;;1H2/q;;+1;;;;;;;;;;+1;/p-1/i;;;;;;;;;1D
• InChIKey: UHHWPPZXRSYBEO-CWRVZGQUSA-M
• XLogP: 21.27
• TPSA: 235.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2393.05
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide?

The IUPAC name of potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide (CID 161092102) is potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide.

What is the SMILES notation for potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide?

The canonical SMILES for potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide is Brc1ccc2[nH]ncc2c1.Brc1ccc2n[nH]c(I)c2c1.C.C1CCOC1.C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)C1=c2cc(Br)ccc2=N[N+]1=C.C=C(C)c1c2cc(-c3ccnc(Cl)n3)ccc2nn1C.C=C(C)c1c2cc(Br)ccc2nn1C.Clc1ccnc(Cl)n1.Cn1nc2ccc(Br)cc2c1I.II.[2H]CF.[K+].[OH-].

What is the InChIKey of potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide?

The InChIKey is UHHWPPZXRSYBEO-CWRVZGQUSA-M. The full InChI is InChI=1S/C15H13ClN4.C11H11BrN2.C11H10BrN2.C9H17BO2.C8H6BrIN2.C7H4BrIN2.C7H5BrN2.C4H2Cl2N2.C4H8O.CH3F.CH4.I2.K.H2O/c1-9(2)14-11-8-10(4-5-13(11)19-20(14)3)12-6-7-17-15(16)18-12;2*1-7(2)11-9-6-8(12)4-5-10(9)13-14(11)3;1-7(2)10-11-8(3,4)9(5,6)12-10;1-12-8(10)6-4-5(9)2-3-7(6)11-12;8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;1-2;;1-2;;/h4-8H,1H2,2-3H3;4-6H,1H2,2-3H3;4-6H,1,3H2,2H3;1H2,2-6H3;2-4H,1H3;1-3H,(H,10,11);1-4H,(H,9,10);1-2H;1-4H2;1H3;1H4;;;1H2/q;;+1;;;;;;;;;;+1;/p-1/i;;;;;;;;;1D;;;;.

What are the key properties of potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide?

potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide has a molecular weight of 2393.05 g/mol, XLogP of 21.27, 5 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide is sourced from PubChem (CID 161092102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).