Pyridazine-4-carboxylic Acid

C₅H₄N₂O₂ — CID 2761046

About Pyridazine-4-carboxylic Acid

Pyridazine-4-carboxylic Acid (PubChem CID 2761046) has the molecular formula C₅H₄N₂O₂ and a molecular weight of 124.10 g/mol. Its IUPAC name is pyridazine-4-carboxylic acid.

Molecular Properties

• Compound Name: Pyridazine-4-carboxylic Acid
• PubChem CID: 2761046
• Molecular Formula: C₅H₄N₂O₂
• Molecular Weight: 124.10 g/mol
• Exact Mass: 124.03
• IUPAC Name: pyridazine-4-carboxylic acid
• SMILES: O=C(O)c1ccnnc1
• InChI: InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9)
• InChIKey: JUSIWJONLKBPDU-UHFFFAOYSA-N
• XLogP: 0.17
• TPSA: 63.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	124.10
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Pyridazine-4-carboxylic Acid?

The IUPAC name of Pyridazine-4-carboxylic Acid (CID 2761046) is pyridazine-4-carboxylic acid.

What is the SMILES notation for Pyridazine-4-carboxylic Acid?

The canonical SMILES for Pyridazine-4-carboxylic Acid is O=C(O)c1ccnnc1.

What is the InChIKey of Pyridazine-4-carboxylic Acid?

The InChIKey is JUSIWJONLKBPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9).

What are the key properties of Pyridazine-4-carboxylic Acid?

Pyridazine-4-carboxylic Acid has a molecular weight of 124.10 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Pyridazine-4-carboxylic Acid is sourced from PubChem (CID 2761046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2761046 — identifiers, structure, computed properties (public domain)

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