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

C17H11Cl2IN2O2 — CID 3080542

IUPAC2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one
SMILESO=c1c(I)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2IN2O2/c18-12-3-1-11(2-4-12)10-24-15-9-21-22(17(23)16(15)20)14-7-5-13(19)6-8-14/h1-9H,10H2
InChIKeyBRJAOLBBRKCDEA-UHFFFAOYSA-N
MW473.10 g/mol
LogP4.72
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one (PubChem CID 3080542) has the molecular formula C17H11Cl2IN2O2 and a molecular weight of 473.10 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one
PubChem CID3080542
Molecular FormulaC17H11Cl2IN2O2
Molecular Weight473.10 g/mol
Exact Mass471.92
IUPAC Name2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one
SMILESO=c1c(I)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2IN2O2/c18-12-3-1-11(2-4-12)10-24-15-9-21-22(17(23)16(15)20)14-7-5-13(19)6-8-14/h1-9H,10H2
InChIKeyBRJAOLBBRKCDEA-UHFFFAOYSA-N
XLogP4.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.10
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 10195333
CID 10195333
CID 46887135
CID 46887135
CID 46887136
CID 46887136
CID 9824695
CID 9824695
CID 10288541
CID 10288541
CID 46887097
CID 46887097
CID 3065230
CID 3065230
CID 3065233
CID 3065233
CID 46887184
CID 46887184
CID 46887067
CID 46887067
CID 73293080
CID 73293080
CID 3065231
CID 3065231

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one (CID 3080542) is 2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one is O=c1c(I)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one?
The InChIKey is BRJAOLBBRKCDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2IN2O2/c18-12-3-1-11(2-4-12)10-24-15-9-21-22(17(23)16(15)20)14-7-5-13(19)6-8-14/h1-9H,10H2.
What are the key properties of 2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one?
2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one has a molecular weight of 473.10 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one is sourced from PubChem (CID 3080542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).