1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid

C11H6ClIN2O4 — CID 54687593

IUPAC1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(Cl)c2)c(=O)c(I)c1O
InChIInChI=1S/C11H6ClIN2O4/c12-5-2-1-3-6(4-5)15-10(17)7(13)9(16)8(14-15)11(18)19/h1-4,16H,(H,18,19)
InChIKeyOVCVNWNLITWLBI-UHFFFAOYSA-N
MW392.54 g/mol
LogP1.89
Rot. Bonds2

About 1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid

1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid (PubChem CID 54687593) has the molecular formula C11H6ClIN2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid
PubChem CID54687593
Molecular FormulaC11H6ClIN2O4
Molecular Weight392.54 g/mol
Exact Mass391.91
IUPAC Name1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(Cl)c2)c(=O)c(I)c1O
InChIInChI=1S/C11H6ClIN2O4/c12-5-2-1-3-6(4-5)15-10(17)7(13)9(16)8(14-15)11(18)19/h1-4,16H,(H,18,19)
InChIKeyOVCVNWNLITWLBI-UHFFFAOYSA-N
XLogP1.89
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-4-hydroxy-5-iodo-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

1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 54678799
4-bromo-1-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 55037987
1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 54687297
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 75355715
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964
8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
CID 57216606
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
3,5-diamino-1-(3-chlorophenyl)pyrazole-4-carboxylic acid
CID 115056445
ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 54706485
1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 111698157
2-(3-bromophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 75481580
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9164757

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid (CID 54687593) is 1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid is O=C(O)c1nn(-c2cccc(Cl)c2)c(=O)c(I)c1O.
What is the InChIKey of 1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid?
The InChIKey is OVCVNWNLITWLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClIN2O4/c12-5-2-1-3-6(4-5)15-10(17)7(13)9(16)8(14-15)11(18)19/h1-4,16H,(H,18,19).
What are the key properties of 1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid?
1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid has a molecular weight of 392.54 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 54687593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).