3-formylindazole-2-carboxylic acid

C9H6N2O3 — CID 141418516

IUPAC3-formylindazole-2-carboxylic acid
SMILESO=Cc1c2ccccc2nn1C(=O)O
InChIInChI=1S/C9H6N2O3/c12-5-8-6-3-1-2-4-7(6)10-11(8)9(13)14/h1-5H,(H,13,14)
InChIKeyGHRNDNCWZGCRAZ-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.37
Rot. Bonds1

About 3-formylindazole-2-carboxylic acid

3-formylindazole-2-carboxylic acid (PubChem CID 141418516) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-formylindazole-2-carboxylic acid.

Molecular Properties

Compound Name3-formylindazole-2-carboxylic acid
PubChem CID141418516
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name3-formylindazole-2-carboxylic acid
SMILESO=Cc1c2ccccc2nn1C(=O)O
InChIInChI=1S/C9H6N2O3/c12-5-8-6-3-1-2-4-7(6)10-11(8)9(13)14/h1-5H,(H,13,14)
InChIKeyGHRNDNCWZGCRAZ-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formylindazole-2-carboxylic acid?
The IUPAC name of 3-formylindazole-2-carboxylic acid (CID 141418516) is 3-formylindazole-2-carboxylic acid.
What is the SMILES notation for 3-formylindazole-2-carboxylic acid?
The canonical SMILES for 3-formylindazole-2-carboxylic acid is O=Cc1c2ccccc2nn1C(=O)O.
What is the InChIKey of 3-formylindazole-2-carboxylic acid?
The InChIKey is GHRNDNCWZGCRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-5-8-6-3-1-2-4-7(6)10-11(8)9(13)14/h1-5H,(H,13,14).
What are the key properties of 3-formylindazole-2-carboxylic acid?
3-formylindazole-2-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formylindazole-2-carboxylic acid is sourced from PubChem (CID 141418516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).