3-oxo-2-phenylpyridazine-4-carboxylic acid

C11H8N2O3 — CID 4638036

IUPAC3-oxo-2-phenylpyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnn(-c2ccccc2)c1=O
InChIInChI=1S/C11H8N2O3/c14-10-9(11(15)16)6-7-12-13(10)8-4-2-1-3-5-8/h1-7H,(H,15,16)
InChIKeyHAQOANBWWIMXBJ-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.93
Rot. Bonds2

About 3-oxo-2-phenylpyridazine-4-carboxylic acid

3-oxo-2-phenylpyridazine-4-carboxylic acid (PubChem CID 4638036) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-oxo-2-phenylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-phenylpyridazine-4-carboxylic acid
PubChem CID4638036
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name3-oxo-2-phenylpyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnn(-c2ccccc2)c1=O
InChIInChI=1S/C11H8N2O3/c14-10-9(11(15)16)6-7-12-13(10)8-4-2-1-3-5-8/h1-7H,(H,15,16)
InChIKeyHAQOANBWWIMXBJ-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

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-phenylpyridazine-4-carboxylic acid?
The IUPAC name of 3-oxo-2-phenylpyridazine-4-carboxylic acid (CID 4638036) is 3-oxo-2-phenylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-oxo-2-phenylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-oxo-2-phenylpyridazine-4-carboxylic acid is O=C(O)c1ccnn(-c2ccccc2)c1=O.
What is the InChIKey of 3-oxo-2-phenylpyridazine-4-carboxylic acid?
The InChIKey is HAQOANBWWIMXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-10-9(11(15)16)6-7-12-13(10)8-4-2-1-3-5-8/h1-7H,(H,15,16).
What are the key properties of 3-oxo-2-phenylpyridazine-4-carboxylic acid?
3-oxo-2-phenylpyridazine-4-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 3-oxo-2-phenylpyridazine-4-carboxylic acid is sourced from PubChem (CID 4638036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).