4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one

C12H12Cl2N2O2 — CID 89336984

IUPAC4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one
SMILESCOC1=NN(c2ccccc2)C(=O)C(Cl)C1(C)Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-12(14)9(13)10(17)16(15-11(12)18-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyLLYGCCARIWQWAF-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.60
Rot. Bonds1

About 4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one

4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one (PubChem CID 89336984) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one
PubChem CID89336984
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one
SMILESCOC1=NN(c2ccccc2)C(=O)C(Cl)C1(C)Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-12(14)9(13)10(17)16(15-11(12)18-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyLLYGCCARIWQWAF-UHFFFAOYSA-N
XLogP2.60
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one?
The IUPAC name of 4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one (CID 89336984) is 4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one is COC1=NN(c2ccccc2)C(=O)C(Cl)C1(C)Cl.
What is the InChIKey of 4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one?
The InChIKey is LLYGCCARIWQWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-12(14)9(13)10(17)16(15-11(12)18-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of 4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one?
4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one has a molecular weight of 287.15 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-methoxy-5-methyl-2-phenyl-4H-pyridazin-3-one is sourced from PubChem (CID 89336984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).