2-methylindazole-7-carboxylic acid

C9H8N2O2 — CID 56973014

IUPAC2-methylindazole-7-carboxylic acid
SMILESCn1cc2cccc(C(=O)O)c2n1
InChIInChI=1S/C9H8N2O2/c1-11-5-6-3-2-4-7(9(12)13)8(6)10-11/h2-5H,1H3,(H,12,13)
InChIKeyZEBWGCUXSPBILS-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.27
Rot. Bonds1

About 2-methylindazole-7-carboxylic acid

2-methylindazole-7-carboxylic acid (PubChem CID 56973014) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-methylindazole-7-carboxylic acid.

Molecular Properties

Compound Name2-methylindazole-7-carboxylic acid
PubChem CID56973014
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-methylindazole-7-carboxylic acid
SMILESCn1cc2cccc(C(=O)O)c2n1
InChIInChI=1S/C9H8N2O2/c1-11-5-6-3-2-4-7(9(12)13)8(6)10-11/h2-5H,1H3,(H,12,13)
InChIKeyZEBWGCUXSPBILS-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylindazole-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

Related Compounds

2-Pyrazolylbenzoic acid
CID 4738383
1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid
CID 2566102
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CID 2795474
1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
3-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 1263648
Pyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 2795462
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
Niraparib metabolite M1
CID 118737587
1H-Indazole-7-carboxylic acid
CID 12639205
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
CID 819613
1-(4,4-Difluorocyclohexyl)-3-propylindazole-5-carboxylic acid
CID 168273954
1-(4,4-Difluorocyclohexyl)indazole-5-carboxylic acid
CID 168275396

Frequently Asked Questions

What is the IUPAC name of 2-methylindazole-7-carboxylic acid?
The IUPAC name of 2-methylindazole-7-carboxylic acid (CID 56973014) is 2-methylindazole-7-carboxylic acid.
What is the SMILES notation for 2-methylindazole-7-carboxylic acid?
The canonical SMILES for 2-methylindazole-7-carboxylic acid is Cn1cc2cccc(C(=O)O)c2n1.
What is the InChIKey of 2-methylindazole-7-carboxylic acid?
The InChIKey is ZEBWGCUXSPBILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-11-5-6-3-2-4-7(9(12)13)8(6)10-11/h2-5H,1H3,(H,12,13).
What are the key properties of 2-methylindazole-7-carboxylic acid?
2-methylindazole-7-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylindazole-7-carboxylic acid is sourced from PubChem (CID 56973014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).