3-methyl-2H-indazole-7-carboxylic acid

C9H8N2O2 — CID 67463657

IUPAC3-methyl-2H-indazole-7-carboxylic acid
SMILESCc1[nH]nc2c(C(=O)O)cccc12
InChIInChI=1S/C9H8N2O2/c1-5-6-3-2-4-7(9(12)13)8(6)11-10-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyDRAQPPGTKCREIS-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.57
Rot. Bonds1

About 3-methyl-2H-indazole-7-carboxylic acid

3-methyl-2H-indazole-7-carboxylic acid (PubChem CID 67463657) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-methyl-2H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2H-indazole-7-carboxylic acid
PubChem CID67463657
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name3-methyl-2H-indazole-7-carboxylic acid
SMILESCc1[nH]nc2c(C(=O)O)cccc12
InChIInChI=1S/C9H8N2O2/c1-5-6-3-2-4-7(9(12)13)8(6)11-10-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyDRAQPPGTKCREIS-UHFFFAOYSA-N
XLogP1.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2H-indazole-7-carboxylic 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 3-methyl-2H-indazole-7-carboxylic acid?
The IUPAC name of 3-methyl-2H-indazole-7-carboxylic acid (CID 67463657) is 3-methyl-2H-indazole-7-carboxylic acid.
What is the SMILES notation for 3-methyl-2H-indazole-7-carboxylic acid?
The canonical SMILES for 3-methyl-2H-indazole-7-carboxylic acid is Cc1[nH]nc2c(C(=O)O)cccc12.
What is the InChIKey of 3-methyl-2H-indazole-7-carboxylic acid?
The InChIKey is DRAQPPGTKCREIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-6-3-2-4-7(9(12)13)8(6)11-10-5/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-methyl-2H-indazole-7-carboxylic acid?
3-methyl-2H-indazole-7-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-indazole-7-carboxylic acid is sourced from PubChem (CID 67463657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).