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

C13H13ClN2O2 — CID 74235713

IUPAC5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one
SMILESCCOc1ccc(Cl)cc1-c1cc(C)n[nH]c1=O
InChIInChI=1S/C13H13ClN2O2/c1-3-18-12-5-4-9(14)7-10(12)11-6-8(2)15-16-13(11)17/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyAADWFCNMMSKPTD-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.80
Rot. Bonds3

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

5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one (PubChem CID 74235713) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one
PubChem CID74235713
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one
SMILESCCOc1ccc(Cl)cc1-c1cc(C)n[nH]c1=O
InChIInChI=1S/C13H13ClN2O2/c1-3-18-12-5-4-9(14)7-10(12)11-6-8(2)15-16-13(11)17/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyAADWFCNMMSKPTD-UHFFFAOYSA-N
XLogP2.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one (CID 74235713) is 5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one is CCOc1ccc(Cl)cc1-c1cc(C)n[nH]c1=O.
What is the InChIKey of 5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one?
The InChIKey is AADWFCNMMSKPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-18-12-5-4-9(14)7-10(12)11-6-8(2)15-16-13(11)17/h4-7H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one?
5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one has a molecular weight of 264.71 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-ethoxyphenyl)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 74235713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).