4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole

C11H9BN2O2 — CID 89221453

IUPAC4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole
SMILESC=C1OB(c2cccc3[nH]ncc23)OC1=C
InChIInChI=1S/C11H9BN2O2/c1-7-8(2)16-12(15-7)10-4-3-5-11-9(10)6-13-14-11/h3-6H,1-2H2,(H,13,14)
InChIKeyYVRDKKQDKIEPKT-UHFFFAOYSA-N
MW212.02 g/mol
LogP1.33
Rot. Bonds1

About 4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole

4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole (PubChem CID 89221453) has the molecular formula C11H9BN2O2 and a molecular weight of 212.02 g/mol. Its IUPAC name is 4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole.

Molecular Properties

Compound Name4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole
PubChem CID89221453
Molecular FormulaC11H9BN2O2
Molecular Weight212.02 g/mol
Exact Mass212.08
IUPAC Name4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole
SMILESC=C1OB(c2cccc3[nH]ncc23)OC1=C
InChIInChI=1S/C11H9BN2O2/c1-7-8(2)16-12(15-7)10-4-3-5-11-9(10)6-13-14-11/h3-6H,1-2H2,(H,13,14)
InChIKeyYVRDKKQDKIEPKT-UHFFFAOYSA-N
XLogP1.33
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.02
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The IUPAC name of 4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole (CID 89221453) is 4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole.
What is the SMILES notation for 4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The canonical SMILES for 4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole is C=C1OB(c2cccc3[nH]ncc23)OC1=C.
What is the InChIKey of 4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The InChIKey is YVRDKKQDKIEPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BN2O2/c1-7-8(2)16-12(15-7)10-4-3-5-11-9(10)6-13-14-11/h3-6H,1-2H2,(H,13,14).
What are the key properties of 4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole?
4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole has a molecular weight of 212.02 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-1H-indazole is sourced from PubChem (CID 89221453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).