1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C15H21BN2O2 — CID 67402578

IUPAC1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCCn1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C15H21BN2O2/c1-6-18-13-8-7-12(9-11(13)10-17-18)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
InChIKeyRXTBSDCAPAQBGU-UHFFFAOYSA-N
MW272.16 g/mol
LogP2.36
Rot. Bonds2

About 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 67402578) has the molecular formula C15H21BN2O2 and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID67402578
Molecular FormulaC15H21BN2O2
Molecular Weight272.16 g/mol
Exact Mass272.17
IUPAC Name1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCCn1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C15H21BN2O2/c1-6-18-13-8-7-12(9-11(13)10-17-18)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
InChIKeyRXTBSDCAPAQBGU-UHFFFAOYSA-N
XLogP2.36
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 67402578) is 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is CCn1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.
What is the InChIKey of 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is RXTBSDCAPAQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BN2O2/c1-6-18-13-8-7-12(9-11(13)10-17-18)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3.
What are the key properties of 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 272.16 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 67402578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).