(5-ethyl-1H-indazol-6-yl)boronic acid

C9H11BN2O2 — CID 175075501

IUPAC(5-ethyl-1H-indazol-6-yl)boronic acid
SMILESCCc1cc2cn[nH]c2cc1B(O)O
InChIInChI=1S/C9H11BN2O2/c1-2-6-3-7-5-11-12-9(7)4-8(6)10(13)14/h3-5,13-14H,2H2,1H3,(H,11,12)
InChIKeyOVYJXUTUHZUIJK-UHFFFAOYSA-N
MW190.01 g/mol
LogP-0.19
Rot. Bonds2

About (5-ethyl-1H-indazol-6-yl)boronic acid

(5-ethyl-1H-indazol-6-yl)boronic acid (PubChem CID 175075501) has the molecular formula C9H11BN2O2 and a molecular weight of 190.01 g/mol. Its IUPAC name is (5-ethyl-1H-indazol-6-yl)boronic acid.

Molecular Properties

Compound Name(5-ethyl-1H-indazol-6-yl)boronic acid
PubChem CID175075501
Molecular FormulaC9H11BN2O2
Molecular Weight190.01 g/mol
Exact Mass190.09
IUPAC Name(5-ethyl-1H-indazol-6-yl)boronic acid
SMILESCCc1cc2cn[nH]c2cc1B(O)O
InChIInChI=1S/C9H11BN2O2/c1-2-6-3-7-5-11-12-9(7)4-8(6)10(13)14/h3-5,13-14H,2H2,1H3,(H,11,12)
InChIKeyOVYJXUTUHZUIJK-UHFFFAOYSA-N
XLogP-0.19
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.01
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-ethyl-1H-indazol-6-yl)boronic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-indazol-6-yl)boronic acid?
The IUPAC name of (5-ethyl-1H-indazol-6-yl)boronic acid (CID 175075501) is (5-ethyl-1H-indazol-6-yl)boronic acid.
What is the SMILES notation for (5-ethyl-1H-indazol-6-yl)boronic acid?
The canonical SMILES for (5-ethyl-1H-indazol-6-yl)boronic acid is CCc1cc2cn[nH]c2cc1B(O)O.
What is the InChIKey of (5-ethyl-1H-indazol-6-yl)boronic acid?
The InChIKey is OVYJXUTUHZUIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BN2O2/c1-2-6-3-7-5-11-12-9(7)4-8(6)10(13)14/h3-5,13-14H,2H2,1H3,(H,11,12).
What are the key properties of (5-ethyl-1H-indazol-6-yl)boronic acid?
(5-ethyl-1H-indazol-6-yl)boronic acid has a molecular weight of 190.01 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-indazol-6-yl)boronic acid is sourced from PubChem (CID 175075501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).