3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one

C11H8Cl2N2O2 — CID 106514762

IUPAC3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(Cl)cc1-c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C11H8Cl2N2O2/c1-17-9-3-2-6(12)4-7(9)8-5-10(13)14-15-11(8)16/h2-5H,1H3,(H,15,16)
InChIKeyKFWKLIRSPORCEM-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.75
Rot. Bonds2

About 3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one

3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 106514762) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID106514762
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(Cl)cc1-c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C11H8Cl2N2O2/c1-17-9-3-2-6(12)4-7(9)8-5-10(13)14-15-11(8)16/h2-5H,1H3,(H,15,16)
InChIKeyKFWKLIRSPORCEM-UHFFFAOYSA-N
XLogP2.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one (CID 106514762) is 3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one is COc1ccc(Cl)cc1-c1cc(Cl)n[nH]c1=O.
What is the InChIKey of 3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is KFWKLIRSPORCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-17-9-3-2-6(12)4-7(9)8-5-10(13)14-15-11(8)16/h2-5H,1H3,(H,15,16).
What are the key properties of 3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one?
3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 271.10 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 106514762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).