2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C14H19BN2O2 — CID 57362231

IUPAC2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCn1cc2cccc(B3OC(C)(C)C(C)(C)O3)c2n1
InChIInChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-8-6-7-10-9-17(5)16-12(10)11/h6-9H,1-5H3
InChIKeyXDGGWHYHHVYGQE-UHFFFAOYSA-N
MW258.13 g/mol
LogP1.87
Rot. Bonds1

About 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 57362231) has the molecular formula C14H19BN2O2 and a molecular weight of 258.13 g/mol. Its IUPAC name is 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID57362231
Molecular FormulaC14H19BN2O2
Molecular Weight258.13 g/mol
Exact Mass258.15
IUPAC Name2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCn1cc2cccc(B3OC(C)(C)C(C)(C)O3)c2n1
InChIInChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-8-6-7-10-9-17(5)16-12(10)11/h6-9H,1-5H3
InChIKeyXDGGWHYHHVYGQE-UHFFFAOYSA-N
XLogP1.87
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 51.87
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 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 57362231) is 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Cn1cc2cccc(B3OC(C)(C)C(C)(C)O3)c2n1.
What is the InChIKey of 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is XDGGWHYHHVYGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-8-6-7-10-9-17(5)16-12(10)11/h6-9H,1-5H3.
What are the key properties of 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 258.13 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 57362231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).