1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid

C13H10ClN3O4 — CID 114696103

IUPAC1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid
SMILESO=C(Cn1nc(C(=O)O)ccc1=O)Nc1ccccc1Cl
InChIInChI=1S/C13H10ClN3O4/c14-8-3-1-2-4-9(8)15-11(18)7-17-12(19)6-5-10(16-17)13(20)21/h1-6H,7H2,(H,15,18)(H,20,21)
InChIKeyKTUGJEITYXKHFI-UHFFFAOYSA-N
MW307.69 g/mol
LogP1.23
Rot. Bonds4

About 1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid

1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid (PubChem CID 114696103) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid
PubChem CID114696103
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid
SMILESO=C(Cn1nc(C(=O)O)ccc1=O)Nc1ccccc1Cl
InChIInChI=1S/C13H10ClN3O4/c14-8-3-1-2-4-9(8)15-11(18)7-17-12(19)6-5-10(16-17)13(20)21/h1-6H,7H2,(H,15,18)(H,20,21)
InChIKeyKTUGJEITYXKHFI-UHFFFAOYSA-N
XLogP1.23
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-chloroanilino)-2-oxoethyl]-6-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

N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702
N-(2-chlorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774389
N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide
CID 50812970
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(2,3-dichlorophenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672039
N-(2,3-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052763
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 3224557
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38661688
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55874064
3-[2-(2-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2351837
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid (CID 114696103) is 1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid is O=C(Cn1nc(C(=O)O)ccc1=O)Nc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid?
The InChIKey is KTUGJEITYXKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c14-8-3-1-2-4-9(8)15-11(18)7-17-12(19)6-5-10(16-17)13(20)21/h1-6H,7H2,(H,15,18)(H,20,21).
What are the key properties of 1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid?
1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid has a molecular weight of 307.69 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 114696103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).