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

C35H42BBr2Cl2IK2N6O5 — CID 159484661

IUPACdipotassium;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
SMILESCC(Cl)Cl.Cn1c(I)cc2c(Br)cccc21.Cn1cc(-c2cc3c(Br)cccc3n2C)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C13H12BrN3.C10H17BN2O2.C9H7BrIN.C2H4Cl2.CH2O3.2K.H/c1-16-8-9(7-15-16)13-6-10-11(14)4-3-5-12(10)17(13)2;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-12-8-4-2-3-7(10)6(8)5-9(12)11;1-2(3)4;2-1-4-3;;;/h3-8H,1-2H3;6-7H,1-5H3;2-5H,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyJOKNZNZRCXXAMT-UHFFFAOYSA-M
MW1073.38 g/mol
LogP1.97
Rot. Bonds3

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

dipotassium;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (PubChem CID 159484661) has the molecular formula C35H42BBr2Cl2IK2N6O5 and a molecular weight of 1073.38 g/mol. Its IUPAC name is dipotassium;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate.

Molecular Properties

Compound Namedipotassium;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
PubChem CID159484661
Molecular FormulaC35H42BBr2Cl2IK2N6O5
Molecular Weight1073.38 g/mol
Exact Mass1069.94
IUPAC Namedipotassium;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
SMILESCC(Cl)Cl.Cn1c(I)cc2c(Br)cccc21.Cn1cc(-c2cc3c(Br)cccc3n2C)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C13H12BrN3.C10H17BN2O2.C9H7BrIN.C2H4Cl2.CH2O3.2K.H/c1-16-8-9(7-15-16)13-6-10-11(14)4-3-5-12(10)17(13)2;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-12-8-4-2-3-7(10)6(8)5-9(12)11;1-2(3)4;2-1-4-3;;;/h3-8H,1-2H3;6-7H,1-5H3;2-5H,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyJOKNZNZRCXXAMT-UHFFFAOYSA-M
XLogP1.97
TPSA113.32 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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'}

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Related Compounds

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
5-Bromo-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;methane;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 157681980
Dipotassium;5-bromo-4-fluoro-3-iodo-1-methylindazole;5-bromo-4-fluoro-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 160164914
Dipotassium;5-bromo-6-fluoro-3-iodo-1-methylindazole;5-bromo-6-fluoro-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 160296060
Potassium;5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;acetate
CID 160960985

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;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;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (CID 159484661) is dipotassium;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;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;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;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;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;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.Cn1c(I)cc2c(Br)cccc21.Cn1cc(-c2cc3c(Br)cccc3n2C)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?
The InChIKey is JOKNZNZRCXXAMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12BrN3.C10H17BN2O2.C9H7BrIN.C2H4Cl2.CH2O3.2K.H/c1-16-8-9(7-15-16)13-6-10-11(14)4-3-5-12(10)17(13)2;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-12-8-4-2-3-7(10)6(8)5-9(12)11;1-2(3)4;2-1-4-3;;;/h3-8H,1-2H3;6-7H,1-5H3;2-5H,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?
dipotassium;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;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 1073.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-bromo-2-iodo-1-methylindole;4-bromo-1-methyl-2-(1-methylpyrazol-4-yl)indole;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 159484661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).