2-methyl-3-oxo-1H-indazole-5-carboxylic acid

C9H8N2O3 — CID 67491524

IUPAC2-methyl-3-oxo-1H-indazole-5-carboxylic acid
SMILESCn1[nH]c2ccc(C(=O)O)cc2c1=O
InChIInChI=1S/C9H8N2O3/c1-11-8(12)6-4-5(9(13)14)2-3-7(6)10-11/h2-4,10H,1H3,(H,13,14)
InChIKeyIGLVDZUZTBJSNC-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.56
Rot. Bonds1

About 2-methyl-3-oxo-1H-indazole-5-carboxylic acid

2-methyl-3-oxo-1H-indazole-5-carboxylic acid (PubChem CID 67491524) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-methyl-3-oxo-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-1H-indazole-5-carboxylic acid
PubChem CID67491524
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-methyl-3-oxo-1H-indazole-5-carboxylic acid
SMILESCn1[nH]c2ccc(C(=O)O)cc2c1=O
InChIInChI=1S/C9H8N2O3/c1-11-8(12)6-4-5(9(13)14)2-3-7(6)10-11/h2-4,10H,1H3,(H,13,14)
InChIKeyIGLVDZUZTBJSNC-UHFFFAOYSA-N
XLogP0.56
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-1H-indazole-5-carboxylic acid?
The IUPAC name of 2-methyl-3-oxo-1H-indazole-5-carboxylic acid (CID 67491524) is 2-methyl-3-oxo-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-oxo-1H-indazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-oxo-1H-indazole-5-carboxylic acid is Cn1[nH]c2ccc(C(=O)O)cc2c1=O.
What is the InChIKey of 2-methyl-3-oxo-1H-indazole-5-carboxylic acid?
The InChIKey is IGLVDZUZTBJSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-11-8(12)6-4-5(9(13)14)2-3-7(6)10-11/h2-4,10H,1H3,(H,13,14).
What are the key properties of 2-methyl-3-oxo-1H-indazole-5-carboxylic acid?
2-methyl-3-oxo-1H-indazole-5-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 67491524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).