4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one

C12H10Cl2N2O2 — CID 8862387

IUPAC4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1cccc(Cn2ncc(Cl)c(Cl)c2=O)c1
InChIInChI=1S/C12H10Cl2N2O2/c1-18-9-4-2-3-8(5-9)7-16-12(17)11(14)10(13)6-15-16/h2-6H,7H2,1H3
InChIKeyGJSGDUFTBHSXIS-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.61
Rot. Bonds3

About 4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one

4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one (PubChem CID 8862387) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
PubChem CID8862387
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1cccc(Cn2ncc(Cl)c(Cl)c2=O)c1
InChIInChI=1S/C12H10Cl2N2O2/c1-18-9-4-2-3-8(5-9)7-16-12(17)11(14)10(13)6-15-16/h2-6H,7H2,1H3
InChIKeyGJSGDUFTBHSXIS-UHFFFAOYSA-N
XLogP2.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3(2H)-Pyridazinone, 4-chloro-2-cyclopentyl-5-(((3-methoxyphenyl)methyl)amino)-
CID 3065183
2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3(2H)-one
CID 838927
4,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]pyridazin-3-one
CID 44226817
4,5-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridazin-3-one
CID 44227025
4-Chloro-5-[(3-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 45868564
3,5-Dichloro-6-(3-methoxy-phenyl)-1-methyl-1H-pyrazin-2-one
CID 13062966
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2460538
4,5-dichloro-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridazin-3-one
CID 44226810
4,5-dichloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one
CID 44227236
4,5-dichloro-2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyridazin-3-one
CID 44227238
4,5-dichloro-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]pyridazin-3-one
CID 44227239
4-Chloro-5-[(4-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 45806305

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one (CID 8862387) is 4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one is COc1cccc(Cn2ncc(Cl)c(Cl)c2=O)c1.
What is the InChIKey of 4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is GJSGDUFTBHSXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-18-9-4-2-3-8(5-9)7-16-12(17)11(14)10(13)6-15-16/h2-6H,7H2,1H3.
What are the key properties of 4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 285.13 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(3-methoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 8862387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).