dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate

C33H40BBr2Cl2IK2N8O5 — CID 157314880

About dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate

dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (PubChem CID 157314880) has the molecular formula C33H40BBr2Cl2IK2N8O5 and a molecular weight of 1075.36 g/mol. Its IUPAC name is dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate.

Molecular Properties

• Compound Name: dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
• PubChem CID: 157314880
• Molecular Formula: C33H40BBr2Cl2IK2N8O5
• Molecular Weight: 1075.36 g/mol
• Exact Mass: 1071.93
• IUPAC Name: dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
• SMILES: CC(Cl)Cl.Cn1cc(-c2nn(C)c3ccc(Br)cc23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Cn1nc(I)c2cc(Br)ccc21.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C12H11BrN4.C10H17BN2O2.C8H6BrIN2.C2H4Cl2.CH2O3.2K.H/c1-16-7-8(6-14-16)12-10-5-9(13)3-4-11(10)17(2)15-12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-12-7-3-2-5(9)4-6(7)8(10)11-12;1-2(3)4;2-1-4-3;;;/h3-7H,1-2H3;6-7H,1-5H3;2-4H,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
• InChIKey: PRFICSHEVKESJS-UHFFFAOYSA-M
• XLogP: 0.76
• TPSA: 139.10 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1075.36
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

The IUPAC name of dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (CID 157314880) is dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate.

What is the SMILES notation for dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

The canonical SMILES for dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate is CC(Cl)Cl.Cn1cc(-c2nn(C)c3ccc(Br)cc23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Cn1nc(I)c2cc(Br)ccc21.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

The InChIKey is PRFICSHEVKESJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11BrN4.C10H17BN2O2.C8H6BrIN2.C2H4Cl2.CH2O3.2K.H/c1-16-7-8(6-14-16)12-10-5-9(13)3-4-11(10)17(2)15-12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-12-7-3-2-5(9)4-6(7)8(10)11-12;1-2(3)4;2-1-4-3;;;/h3-7H,1-2H3;6-7H,1-5H3;2-4H,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate has a molecular weight of 1075.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;5-bromo-3-iodo-1-methylindazole;5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate is sourced from PubChem (CID 157314880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).