1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid

C11H7ClN2O3 — CID 653448

IUPAC1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C11H7ClN2O3/c12-7-1-3-8(4-2-7)14-6-5-9(15)10(13-14)11(16)17/h1-6H,(H,16,17)
InChIKeyALSMZXGESQGWEH-UHFFFAOYSA-N
MW250.64 g/mol
LogP1.58
Rot. Bonds2

About 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid

1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid (PubChem CID 653448) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid
PubChem CID653448
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C11H7ClN2O3/c12-7-1-3-8(4-2-7)14-6-5-9(15)10(13-14)11(16)17/h1-6H,(H,16,17)
InChIKeyALSMZXGESQGWEH-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid (CID 653448) is 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid is O=C(O)c1nn(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid?
The InChIKey is ALSMZXGESQGWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-7-1-3-8(4-2-7)14-6-5-9(15)10(13-14)11(16)17/h1-6H,(H,16,17).
What are the key properties of 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid?
1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid has a molecular weight of 250.64 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 653448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).