5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C33H36BBr2Cl3N6O4 — CID 158495250

IUPAC5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCOCCn1cc2c(Cl)c(B3OC(C)(C)C(C)(C)O3)ccc2n1.COCCn1cc2c(Cl)c(Br)ccc2n1.Clc1c(Br)ccc2[nH]ncc12
InChIInChI=1S/C16H22BClN2O3.C10H10BrClN2O.C7H4BrClN2/c1-15(2)16(3,4)23-17(22-15)12-6-7-13-11(14(12)18)10-20(19-13)8-9-21-5;1-15-5-4-14-6-7-9(13-14)3-2-8(11)10(7)12;8-5-1-2-6-4(7(5)9)3-10-11-6/h6-7,10H,8-9H2,1-5H3;2-3,6H,4-5H2,1H3;1-3H,(H,10,11)
InChIKeyHJEXARAYKSRBGL-UHFFFAOYSA-N
MW857.67 g/mol
LogP8.71
Rot. Bonds7

About 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 158495250) has the molecular formula C33H36BBr2Cl3N6O4 and a molecular weight of 857.67 g/mol. Its IUPAC name is 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID158495250
Molecular FormulaC33H36BBr2Cl3N6O4
Molecular Weight857.67 g/mol
Exact Mass854.03
IUPAC Name5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCOCCn1cc2c(Cl)c(B3OC(C)(C)C(C)(C)O3)ccc2n1.COCCn1cc2c(Cl)c(Br)ccc2n1.Clc1c(Br)ccc2[nH]ncc12
InChIInChI=1S/C16H22BClN2O3.C10H10BrClN2O.C7H4BrClN2/c1-15(2)16(3,4)23-17(22-15)12-6-7-13-11(14(12)18)10-20(19-13)8-9-21-5;1-15-5-4-14-6-7-9(13-14)3-2-8(11)10(7)12;8-5-1-2-6-4(7(5)9)3-10-11-6/h6-7,10H,8-9H2,1-5H3;2-3,6H,4-5H2,1H3;1-3H,(H,10,11)
InChIKeyHJEXARAYKSRBGL-UHFFFAOYSA-N
XLogP8.71
TPSA101.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.67
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole with MolForge

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Related Compounds

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5-bromo-1H-indazole;5-bromo-1-propan-2-ylindazole;1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
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5-Bromo-4-chloro-2-methylindazole;4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
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Tert-butyl 2-(5-bromo-4-chloroindazol-2-yl)acetate;tert-butyl 2-[4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]acetate
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5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(oxetan-3-yl)indazole;4-chloro-2-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
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5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 158495250) is 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is COCCn1cc2c(Cl)c(B3OC(C)(C)C(C)(C)O3)ccc2n1.COCCn1cc2c(Cl)c(Br)ccc2n1.Clc1c(Br)ccc2[nH]ncc12.
What is the InChIKey of 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is HJEXARAYKSRBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BClN2O3.C10H10BrClN2O.C7H4BrClN2/c1-15(2)16(3,4)23-17(22-15)12-6-7-13-11(14(12)18)10-20(19-13)8-9-21-5;1-15-5-4-14-6-7-9(13-14)3-2-8(11)10(7)12;8-5-1-2-6-4(7(5)9)3-10-11-6/h6-7,10H,8-9H2,1-5H3;2-3,6H,4-5H2,1H3;1-3H,(H,10,11).
What are the key properties of 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 857.67 g/mol, XLogP of 8.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 158495250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).