3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

C11H7ClN2O3 — CID 82445716

IUPAC3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)9-5-8(11(16)17)10(15)14-13-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyYXRQGNAVCNXKHA-UHFFFAOYSA-N
MW250.64 g/mol
LogP1.79
Rot. Bonds2

About 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 82445716) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID82445716
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)9-5-8(11(16)17)10(15)14-13-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyYXRQGNAVCNXKHA-UHFFFAOYSA-N
XLogP1.79
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (CID 82445716) is 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O.
What is the InChIKey of 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is YXRQGNAVCNXKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)9-5-8(11(16)17)10(15)14-13-9/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 250.64 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 82445716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).