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

C24H28BBrCl2N4O2 — CID 158229275

IUPAC5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCCn1cc2c(Cl)c(B3OC(C)(C)C(C)(C)O3)ccc2n1.CCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C15H20BClN2O2.C9H8BrClN2/c1-6-19-9-10-12(18-19)8-7-11(13(10)17)16-20-14(2,3)15(4,5)21-16;1-2-13-5-6-8(12-13)4-3-7(10)9(6)11/h7-9H,6H2,1-5H3;3-5H,2H2,1H3
InChIKeyGEEHOQKKEHCHRZ-UHFFFAOYSA-N
MW566.14 g/mol
LogP6.48
Rot. Bonds3

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

5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 158229275) has the molecular formula C24H28BBrCl2N4O2 and a molecular weight of 566.14 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID158229275
Molecular FormulaC24H28BBrCl2N4O2
Molecular Weight566.14 g/mol
Exact Mass564.09
IUPAC Name5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCCn1cc2c(Cl)c(B3OC(C)(C)C(C)(C)O3)ccc2n1.CCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C15H20BClN2O2.C9H8BrClN2/c1-6-19-9-10-12(18-19)8-7-11(13(10)17)16-20-14(2,3)15(4,5)21-16;1-2-13-5-6-8(12-13)4-3-7(10)9(6)11/h7-9H,6H2,1-5H3;3-5H,2H2,1H3
InChIKeyGEEHOQKKEHCHRZ-UHFFFAOYSA-N
XLogP6.48
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.14
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-Bromo-6-chlorophenyl)methyl]-3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 123464077
5-Bromo-4-chloro-2-ethyl-2H-indazole
CID 146307837
1-(5-Bromo-4-chloro-2H-indazol-2-yl)-2-methylpropan-2-ol
CID 146307891
Tert-butyl-3-(5-bromo-4-chloro-2H-indazol-2-yl)propanoate
CID 146307900
5-Bromo-4-chloro-2-methyl-2H-indazole
CID 146307905
5-Bromo-2-tert-butyl-4-chloroindazole
CID 146308001
1-Methyl-3-(1-methylpyrazol-4-yl)-5-(3,3,4,4-tetramethyl-1lambda3,2,5-bromadioxolan-1-yl)indazole
CID 148891461
4-Chloro-2-[(1-methylpyrazol-3-yl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 150248816
4-Chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 150405149
5-Bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole
CID 150972694
4-Chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
CID 151821859
4-Chloro-2-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 152192235

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 158229275) is 5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is CCn1cc2c(Cl)c(B3OC(C)(C)C(C)(C)O3)ccc2n1.CCn1cc2c(Cl)c(Br)ccc2n1.
What is the InChIKey of 5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is GEEHOQKKEHCHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BClN2O2.C9H8BrClN2/c1-6-19-9-10-12(18-19)8-7-11(13(10)17)16-20-14(2,3)15(4,5)21-16;1-2-13-5-6-8(12-13)4-3-7(10)9(6)11/h7-9H,6H2,1-5H3;3-5H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 566.14 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 158229275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).