4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one

C10H8I2N2O — CID 146577758

IUPAC4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CC(I)C(c2ccc(I)cc2)=NN1
InChIInChI=1S/C10H8I2N2O/c11-7-3-1-6(2-4-7)10-8(12)5-9(15)13-14-10/h1-4,8H,5H2,(H,13,15)
InChIKeyMIDIVPRUKMBDSM-UHFFFAOYSA-N
MW426.00 g/mol
LogP2.32
Rot. Bonds1

About 4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one

4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 146577758) has the molecular formula C10H8I2N2O and a molecular weight of 426.00 g/mol. Its IUPAC name is 4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID146577758
Molecular FormulaC10H8I2N2O
Molecular Weight426.00 g/mol
Exact Mass425.87
IUPAC Name4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CC(I)C(c2ccc(I)cc2)=NN1
InChIInChI=1S/C10H8I2N2O/c11-7-3-1-6(2-4-7)10-8(12)5-9(15)13-14-10/h1-4,8H,5H2,(H,13,15)
InChIKeyMIDIVPRUKMBDSM-UHFFFAOYSA-N
XLogP2.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.00
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 146577758) is 4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CC(I)C(c2ccc(I)cc2)=NN1.
What is the InChIKey of 4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is MIDIVPRUKMBDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8I2N2O/c11-7-3-1-6(2-4-7)10-8(12)5-9(15)13-14-10/h1-4,8H,5H2,(H,13,15).
What are the key properties of 4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one?
4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 426.00 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-(4-iodophenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 146577758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).