5-formylpyridazine-3-carboxylic acid

C6H4N2O3 — CID 176600086

IUPAC5-formylpyridazine-3-carboxylic acid
SMILESO=Cc1cnnc(C(=O)O)c1
InChIInChI=1S/C6H4N2O3/c9-3-4-1-5(6(10)11)8-7-2-4/h1-3H,(H,10,11)
InChIKeyHZQBQJASUXSWNN-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.01
Rot. Bonds2

About 5-formylpyridazine-3-carboxylic acid

5-formylpyridazine-3-carboxylic acid (PubChem CID 176600086) has the molecular formula C6H4N2O3 and a molecular weight of 152.11 g/mol. Its IUPAC name is 5-formylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-formylpyridazine-3-carboxylic acid
PubChem CID176600086
Molecular FormulaC6H4N2O3
Molecular Weight152.11 g/mol
Exact Mass152.02
IUPAC Name5-formylpyridazine-3-carboxylic acid
SMILESO=Cc1cnnc(C(=O)O)c1
InChIInChI=1S/C6H4N2O3/c9-3-4-1-5(6(10)11)8-7-2-4/h1-3H,(H,10,11)
InChIKeyHZQBQJASUXSWNN-UHFFFAOYSA-N
XLogP-0.01
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.01
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 5-formylpyridazine-3-carboxylic acid?
The IUPAC name of 5-formylpyridazine-3-carboxylic acid (CID 176600086) is 5-formylpyridazine-3-carboxylic acid.
What is the SMILES notation for 5-formylpyridazine-3-carboxylic acid?
The canonical SMILES for 5-formylpyridazine-3-carboxylic acid is O=Cc1cnnc(C(=O)O)c1.
What is the InChIKey of 5-formylpyridazine-3-carboxylic acid?
The InChIKey is HZQBQJASUXSWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3/c9-3-4-1-5(6(10)11)8-7-2-4/h1-3H,(H,10,11).
What are the key properties of 5-formylpyridazine-3-carboxylic acid?
5-formylpyridazine-3-carboxylic acid has a molecular weight of 152.11 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formylpyridazine-3-carboxylic acid is sourced from PubChem (CID 176600086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).