4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one

C12H10Cl2N2O2 — CID 24997711

IUPAC4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one
SMILESCOc1nn(-c2cccc(C)c2)c(=O)c(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-7-4-3-5-8(6-7)16-12(17)10(14)9(13)11(15-16)18-2/h3-6H,1-2H3
InChIKeyHBEUNPXDEDMSNX-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.86
Rot. Bonds2

About 4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one

4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one (PubChem CID 24997711) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one
PubChem CID24997711
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one
SMILESCOc1nn(-c2cccc(C)c2)c(=O)c(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-7-4-3-5-8(6-7)16-12(17)10(14)9(13)11(15-16)18-2/h3-6H,1-2H3
InChIKeyHBEUNPXDEDMSNX-UHFFFAOYSA-N
XLogP2.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one (CID 24997711) is 4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one is COc1nn(-c2cccc(C)c2)c(=O)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one?
The InChIKey is HBEUNPXDEDMSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-7-4-3-5-8(6-7)16-12(17)10(14)9(13)11(15-16)18-2/h3-6H,1-2H3.
What are the key properties of 4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one?
4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one has a molecular weight of 285.13 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-methoxy-2-(3-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 24997711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).