1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid

C13H11ClN2O3 — CID 43363545

IUPAC1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1-n1nc(C(=O)O)c(=O)cc1C
InChIInChI=1S/C13H11ClN2O3/c1-7-5-9(14)3-4-10(7)16-8(2)6-11(17)12(15-16)13(18)19/h3-6H,1-2H3,(H,18,19)
InChIKeySLZSGWUPATYFAC-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid

1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (PubChem CID 43363545) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
PubChem CID43363545
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1-n1nc(C(=O)O)c(=O)cc1C
InChIInChI=1S/C13H11ClN2O3/c1-7-5-9(14)3-4-10(7)16-8(2)6-11(17)12(15-16)13(18)19/h3-6H,1-2H3,(H,18,19)
InChIKeySLZSGWUPATYFAC-UHFFFAOYSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-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

Related Compounds

1-(4-bromo-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 81287980
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
1-(5-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43556030
1-(4-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363464
1-(4-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61288079
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
1-(2-bromo-4-iodophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 114260944
3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82420543
1-(4-chloro-2-methylphenyl)-5-phenyltriazole-4-carboxylic acid
CID 94940403
5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 82119560
5-amino-1-(4-chloro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817607
4-bromo-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 116818670

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (CID 43363545) is 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is Cc1cc(Cl)ccc1-n1nc(C(=O)O)c(=O)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The InChIKey is SLZSGWUPATYFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-7-5-9(14)3-4-10(7)16-8(2)6-11(17)12(15-16)13(18)19/h3-6H,1-2H3,(H,18,19).
What are the key properties of 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid has a molecular weight of 278.70 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 43363545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).