2-(2-methoxyethyl)indazole-3-carboxylic acid

C11H12N2O3 — CID 68710957

IUPAC2-(2-methoxyethyl)indazole-3-carboxylic acid
SMILESCOCCn1nc2ccccc2c1C(=O)O
InChIInChI=1S/C11H12N2O3/c1-16-7-6-13-10(11(14)15)8-4-2-3-5-9(8)12-13/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyAHNDNVANTGHJRJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.38
Rot. Bonds4

About 2-(2-methoxyethyl)indazole-3-carboxylic acid

2-(2-methoxyethyl)indazole-3-carboxylic acid (PubChem CID 68710957) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(2-methoxyethyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)indazole-3-carboxylic acid
PubChem CID68710957
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(2-methoxyethyl)indazole-3-carboxylic acid
SMILESCOCCn1nc2ccccc2c1C(=O)O
InChIInChI=1S/C11H12N2O3/c1-16-7-6-13-10(11(14)15)8-4-2-3-5-9(8)12-13/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyAHNDNVANTGHJRJ-UHFFFAOYSA-N
XLogP1.38
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)indazole-3-carboxylic acid?
The IUPAC name of 2-(2-methoxyethyl)indazole-3-carboxylic acid (CID 68710957) is 2-(2-methoxyethyl)indazole-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethyl)indazole-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethyl)indazole-3-carboxylic acid is COCCn1nc2ccccc2c1C(=O)O.
What is the InChIKey of 2-(2-methoxyethyl)indazole-3-carboxylic acid?
The InChIKey is AHNDNVANTGHJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-7-6-13-10(11(14)15)8-4-2-3-5-9(8)12-13/h2-5H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-(2-methoxyethyl)indazole-3-carboxylic acid?
2-(2-methoxyethyl)indazole-3-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)indazole-3-carboxylic acid is sourced from PubChem (CID 68710957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).