2-(1-methylindazol-5-yl)oxyacetic acid

C10H10N2O3 — CID 84673968

IUPAC2-(1-methylindazol-5-yl)oxyacetic acid
SMILESCn1ncc2cc(OCC(=O)O)ccc21
InChIInChI=1S/C10H10N2O3/c1-12-9-3-2-8(15-6-10(13)14)4-7(9)5-11-12/h2-5H,6H2,1H3,(H,13,14)
InChIKeyODKHKLWQRUBVGM-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.04
Rot. Bonds3

About 2-(1-methylindazol-5-yl)oxyacetic acid

2-(1-methylindazol-5-yl)oxyacetic acid (PubChem CID 84673968) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(1-methylindazol-5-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-methylindazol-5-yl)oxyacetic acid
PubChem CID84673968
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(1-methylindazol-5-yl)oxyacetic acid
SMILESCn1ncc2cc(OCC(=O)O)ccc21
InChIInChI=1S/C10H10N2O3/c1-12-9-3-2-8(15-6-10(13)14)4-7(9)5-11-12/h2-5H,6H2,1H3,(H,13,14)
InChIKeyODKHKLWQRUBVGM-UHFFFAOYSA-N
XLogP1.04
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylindazol-5-yl)oxyacetic 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 2-(1-methylindazol-5-yl)oxyacetic acid?
The IUPAC name of 2-(1-methylindazol-5-yl)oxyacetic acid (CID 84673968) is 2-(1-methylindazol-5-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-methylindazol-5-yl)oxyacetic acid?
The canonical SMILES for 2-(1-methylindazol-5-yl)oxyacetic acid is Cn1ncc2cc(OCC(=O)O)ccc21.
What is the InChIKey of 2-(1-methylindazol-5-yl)oxyacetic acid?
The InChIKey is ODKHKLWQRUBVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-12-9-3-2-8(15-6-10(13)14)4-7(9)5-11-12/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-(1-methylindazol-5-yl)oxyacetic acid?
2-(1-methylindazol-5-yl)oxyacetic acid has a molecular weight of 206.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-5-yl)oxyacetic acid is sourced from PubChem (CID 84673968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).