6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid

C12H9ClN2O3 — CID 83588255

IUPAC6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCn1nc(-c2ccccc2Cl)cc(C(=O)O)c1=O
InChIInChI=1S/C12H9ClN2O3/c1-15-11(16)8(12(17)18)6-10(14-15)7-4-2-3-5-9(7)13/h2-6H,1H3,(H,17,18)
InChIKeyYMXVZMOUYFVRQI-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.80
Rot. Bonds2

About 6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid

6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid (PubChem CID 83588255) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
PubChem CID83588255
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCn1nc(-c2ccccc2Cl)cc(C(=O)O)c1=O
InChIInChI=1S/C12H9ClN2O3/c1-15-11(16)8(12(17)18)6-10(14-15)7-4-2-3-5-9(7)13/h2-6H,1H3,(H,17,18)
InChIKeyYMXVZMOUYFVRQI-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-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 6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid (CID 83588255) is 6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid is Cn1nc(-c2ccccc2Cl)cc(C(=O)O)c1=O.
What is the InChIKey of 6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid?
The InChIKey is YMXVZMOUYFVRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-15-11(16)8(12(17)18)6-10(14-15)7-4-2-3-5-9(7)13/h2-6H,1H3,(H,17,18).
What are the key properties of 6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid?
6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid has a molecular weight of 264.67 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 83588255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).