ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate

C11H12N2O3 — CID 117313880

IUPACethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate
SMILESCCOC(=O)C(O)c1cccc2cn[nH]c12
InChIInChI=1S/C11H12N2O3/c1-2-16-11(15)10(14)8-5-3-4-7-6-12-13-9(7)8/h3-6,10,14H,2H2,1H3,(H,12,13)
InChIKeyOEKBGYYPLWMDNE-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.16
Rot. Bonds3

About ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate

ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate (PubChem CID 117313880) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate
PubChem CID117313880
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate
SMILESCCOC(=O)C(O)c1cccc2cn[nH]c12
InChIInChI=1S/C11H12N2O3/c1-2-16-11(15)10(14)8-5-3-4-7-6-12-13-9(7)8/h3-6,10,14H,2H2,1H3,(H,12,13)
InChIKeyOEKBGYYPLWMDNE-UHFFFAOYSA-N
XLogP1.16
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate 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 ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate (CID 117313880) is ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate is CCOC(=O)C(O)c1cccc2cn[nH]c12.
What is the InChIKey of ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate?
The InChIKey is OEKBGYYPLWMDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-16-11(15)10(14)8-5-3-4-7-6-12-13-9(7)8/h3-6,10,14H,2H2,1H3,(H,12,13).
What are the key properties of ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate?
ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate has a molecular weight of 220.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate is sourced from PubChem (CID 117313880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).