3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid

C13H11IN2O3 — CID 62702753

IUPAC3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(Oc2ccc(I)cc2)c(C(=O)O)c1C
InChIInChI=1S/C13H11IN2O3/c1-7-8(2)15-16-12(11(7)13(17)18)19-10-5-3-9(14)4-6-10/h3-6H,1-2H3,(H,17,18)
InChIKeyHOWOYTHZUANBCJ-UHFFFAOYSA-N
MW370.15 g/mol
LogP3.19
Rot. Bonds3

About 3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid

3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 62702753) has the molecular formula C13H11IN2O3 and a molecular weight of 370.15 g/mol. Its IUPAC name is 3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID62702753
Molecular FormulaC13H11IN2O3
Molecular Weight370.15 g/mol
Exact Mass369.98
IUPAC Name3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(Oc2ccc(I)cc2)c(C(=O)O)c1C
InChIInChI=1S/C13H11IN2O3/c1-7-8(2)15-16-12(11(7)13(17)18)19-10-5-3-9(14)4-6-10/h3-6H,1-2H3,(H,17,18)
InChIKeyHOWOYTHZUANBCJ-UHFFFAOYSA-N
XLogP3.19
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-iodophenoxy)-5,6-dimethylpyridazine-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

Related Compounds

5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid
CID 62701914
5,6-diethyl-3-(4-iodophenoxy)pyridazine-4-carboxylic acid
CID 80515525
5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid
CID 81342258
N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide
CID 136924888
3-[4-(hydroxymethyl)phenoxy]-5,6-dimethylpyridazine-4-carbothioamide
CID 61229528
5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid
CID 62703420
2-(4-iodophenoxy)-3-methylpyrazine
CID 83063242
5,6-dimethyl-3-(4-methylpentoxy)pyridazine-4-carboxylic acid
CID 62702416
5,6-dimethyl-3-(4-methylpentan-2-yloxy)pyridazine-4-carboxylic acid
CID 62701383
3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid
CID 62702092
3-(4-fluoro-2-methylphenoxy)-6-iodo-5-methylpyridazine-4-carboxylic acid
CID 167198341
3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine
CID 114448087

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid (CID 62702753) is 3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid is Cc1nnc(Oc2ccc(I)cc2)c(C(=O)O)c1C.
What is the InChIKey of 3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is HOWOYTHZUANBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O3/c1-7-8(2)15-16-12(11(7)13(17)18)19-10-5-3-9(14)4-6-10/h3-6H,1-2H3,(H,17,18).
What are the key properties of 3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid?
3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 370.15 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 62702753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).