3-formyl-2H-indazole-5-carboxylic acid

C9H6N2O3 — CID 22494877

IUPAC3-formyl-2H-indazole-5-carboxylic acid
SMILESO=Cc1[nH]nc2ccc(C(=O)O)cc12
InChIInChI=1S/C9H6N2O3/c12-4-8-6-3-5(9(13)14)1-2-7(6)10-11-8/h1-4H,(H,10,11)(H,13,14)
InChIKeyMAPWHWRNFRJKFI-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.07
Rot. Bonds2

About 3-formyl-2H-indazole-5-carboxylic acid

3-formyl-2H-indazole-5-carboxylic acid (PubChem CID 22494877) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-formyl-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-formyl-2H-indazole-5-carboxylic acid
PubChem CID22494877
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name3-formyl-2H-indazole-5-carboxylic acid
SMILESO=Cc1[nH]nc2ccc(C(=O)O)cc12
InChIInChI=1S/C9H6N2O3/c12-4-8-6-3-5(9(13)14)1-2-7(6)10-11-8/h1-4H,(H,10,11)(H,13,14)
InChIKeyMAPWHWRNFRJKFI-UHFFFAOYSA-N
XLogP1.07
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-formyl-2H-indazole-5-carboxylic acid?
The IUPAC name of 3-formyl-2H-indazole-5-carboxylic acid (CID 22494877) is 3-formyl-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-formyl-2H-indazole-5-carboxylic acid?
The canonical SMILES for 3-formyl-2H-indazole-5-carboxylic acid is O=Cc1[nH]nc2ccc(C(=O)O)cc12.
What is the InChIKey of 3-formyl-2H-indazole-5-carboxylic acid?
The InChIKey is MAPWHWRNFRJKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-4-8-6-3-5(9(13)14)1-2-7(6)10-11-8/h1-4H,(H,10,11)(H,13,14).
What are the key properties of 3-formyl-2H-indazole-5-carboxylic acid?
3-formyl-2H-indazole-5-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 22494877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).