5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one

C17H10Cl3IN2O2 — CID 3080543

IUPAC5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one
SMILESO=c1c(I)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H10Cl3IN2O2/c18-11-3-1-10(2-4-11)9-25-15-8-22-23(17(24)16(15)21)12-5-6-13(19)14(20)7-12/h1-8H,9H2
InChIKeyNENSGHXYOXEOOZ-UHFFFAOYSA-N
MW507.54 g/mol
LogP5.38
Rot. Bonds4

About 5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one

5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one (PubChem CID 3080543) has the molecular formula C17H10Cl3IN2O2 and a molecular weight of 507.54 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one
PubChem CID3080543
Molecular FormulaC17H10Cl3IN2O2
Molecular Weight507.54 g/mol
Exact Mass505.89
IUPAC Name5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one
SMILESO=c1c(I)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H10Cl3IN2O2/c18-11-3-1-10(2-4-11)9-25-15-8-22-23(17(24)16(15)21)12-5-6-13(19)14(20)7-12/h1-8H,9H2
InChIKeyNENSGHXYOXEOOZ-UHFFFAOYSA-N
XLogP5.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.54
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one 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

2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one
CID 3080542
4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one
CID 13373246
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840887
2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one
CID 82063981
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one
CID 45382319
(5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126194642
1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole
CID 59272957
1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 6623238
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840889
4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one
CID 13187394
(5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126196293

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one (CID 3080543) is 5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one is O=c1c(I)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one?
The InChIKey is NENSGHXYOXEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3IN2O2/c18-11-3-1-10(2-4-11)9-25-15-8-22-23(17(24)16(15)21)12-5-6-13(19)14(20)7-12/h1-8H,9H2.
What are the key properties of 5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one?
5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one has a molecular weight of 507.54 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one is sourced from PubChem (CID 3080543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).