ethyl 2-(2H-indazol-3-yl)acetate

C11H12N2O2 — CID 14458636

IUPACethyl 2-(2H-indazol-3-yl)acetate
SMILESCCOC(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)7-10-8-5-3-4-6-9(8)12-13-10/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyIRCHMMWGYHLZAW-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.67
Rot. Bonds3

About ethyl 2-(2H-indazol-3-yl)acetate

ethyl 2-(2H-indazol-3-yl)acetate (PubChem CID 14458636) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 2-(2H-indazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2H-indazol-3-yl)acetate
PubChem CID14458636
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 2-(2H-indazol-3-yl)acetate
SMILESCCOC(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)7-10-8-5-3-4-6-9(8)12-13-10/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyIRCHMMWGYHLZAW-UHFFFAOYSA-N
XLogP1.67
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2H-indazol-3-yl)acetate?
The IUPAC name of ethyl 2-(2H-indazol-3-yl)acetate (CID 14458636) is ethyl 2-(2H-indazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2H-indazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(2H-indazol-3-yl)acetate is CCOC(=O)Cc1[nH]nc2ccccc12.
What is the InChIKey of ethyl 2-(2H-indazol-3-yl)acetate?
The InChIKey is IRCHMMWGYHLZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-11(14)7-10-8-5-3-4-6-9(8)12-13-10/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of ethyl 2-(2H-indazol-3-yl)acetate?
ethyl 2-(2H-indazol-3-yl)acetate has a molecular weight of 204.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2H-indazol-3-yl)acetate is sourced from PubChem (CID 14458636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).