4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one

C11H8Cl2N2O2 — CID 574146

IUPAC4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one
SMILESCOc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl
InChIInChI=1S/C11H8Cl2N2O2/c1-17-9-6-14-15(11(16)10(9)13)8-4-2-3-7(12)5-8/h2-6H,1H3
InChIKeyFBHXHSRAOHUFMI-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.55
Rot. Bonds2

About 4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one

4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one (PubChem CID 574146) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one
PubChem CID574146
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one
SMILESCOc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl
InChIInChI=1S/C11H8Cl2N2O2/c1-17-9-6-14-15(11(16)10(9)13)8-4-2-3-7(12)5-8/h2-6H,1H3
InChIKeyFBHXHSRAOHUFMI-UHFFFAOYSA-N
XLogP2.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one?
The IUPAC name of 4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one (CID 574146) is 4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one?
The canonical SMILES for 4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one is COc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one?
The InChIKey is FBHXHSRAOHUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-17-9-6-14-15(11(16)10(9)13)8-4-2-3-7(12)5-8/h2-6H,1H3.
What are the key properties of 4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one?
4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one has a molecular weight of 271.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chlorophenyl)-5-methoxypyridazin-3-one is sourced from PubChem (CID 574146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).