4-oxo-1-phenylpyridazine-3-carboxylic acid

C11H8N2O3 — CID 1481296

IUPAC4-oxo-1-phenylpyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)ccc1=O
InChIInChI=1S/C11H8N2O3/c14-9-6-7-13(12-10(9)11(15)16)8-4-2-1-3-5-8/h1-7H,(H,15,16)
InChIKeyGNPMPJJBVVFDGP-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.93
Rot. Bonds2

About 4-oxo-1-phenylpyridazine-3-carboxylic acid

4-oxo-1-phenylpyridazine-3-carboxylic acid (PubChem CID 1481296) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-oxo-1-phenylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-phenylpyridazine-3-carboxylic acid
PubChem CID1481296
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name4-oxo-1-phenylpyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)ccc1=O
InChIInChI=1S/C11H8N2O3/c14-9-6-7-13(12-10(9)11(15)16)8-4-2-1-3-5-8/h1-7H,(H,15,16)
InChIKeyGNPMPJJBVVFDGP-UHFFFAOYSA-N
XLogP0.93
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-1-phenylpyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-phenylpyridazine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-phenylpyridazine-3-carboxylic acid (CID 1481296) is 4-oxo-1-phenylpyridazine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-phenylpyridazine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-phenylpyridazine-3-carboxylic acid is O=C(O)c1nn(-c2ccccc2)ccc1=O.
What is the InChIKey of 4-oxo-1-phenylpyridazine-3-carboxylic acid?
The InChIKey is GNPMPJJBVVFDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-9-6-7-13(12-10(9)11(15)16)8-4-2-1-3-5-8/h1-7H,(H,15,16).
What are the key properties of 4-oxo-1-phenylpyridazine-3-carboxylic acid?
4-oxo-1-phenylpyridazine-3-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-phenylpyridazine-3-carboxylic acid is sourced from PubChem (CID 1481296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).