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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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).