3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one

C12H10Cl2N2O2 — CID 54186245

IUPAC3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one
SMILESCCOc1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-2-18-12-8(13)5-7(6-9(12)14)10-3-4-11(17)16-15-10/h3-6H,2H2,1H3,(H,16,17)
InChIKeyPFHXKMIZIQZJSH-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.14
Rot. Bonds3

About 3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one

3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one (PubChem CID 54186245) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one
PubChem CID54186245
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one
SMILESCCOc1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-2-18-12-8(13)5-7(6-9(12)14)10-3-4-11(17)16-15-10/h3-6H,2H2,1H3,(H,16,17)
InChIKeyPFHXKMIZIQZJSH-UHFFFAOYSA-N
XLogP3.14
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one (CID 54186245) is 3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one is CCOc1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is PFHXKMIZIQZJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-2-18-12-8(13)5-7(6-9(12)14)10-3-4-11(17)16-15-10/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of 3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one?
3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 285.13 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 54186245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).