3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one

C11H8Cl2N2O2 — CID 118243200

IUPAC3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one
SMILESCc1cc(Cl)c(Oc2ccc(=O)[nH]n2)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2/c1-6-4-7(12)11(8(13)5-6)17-10-3-2-9(16)14-15-10/h2-5H,1H3,(H,14,16)
InChIKeyJKISAAFHOWTRIA-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.18
Rot. Bonds2

About 3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one

3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one (PubChem CID 118243200) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one
PubChem CID118243200
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one
SMILESCc1cc(Cl)c(Oc2ccc(=O)[nH]n2)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2/c1-6-4-7(12)11(8(13)5-6)17-10-3-2-9(16)14-15-10/h2-5H,1H3,(H,14,16)
InChIKeyJKISAAFHOWTRIA-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one?
The IUPAC name of 3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one (CID 118243200) is 3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one is Cc1cc(Cl)c(Oc2ccc(=O)[nH]n2)c(Cl)c1.
What is the InChIKey of 3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one?
The InChIKey is JKISAAFHOWTRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-6-4-7(12)11(8(13)5-6)17-10-3-2-9(16)14-15-10/h2-5H,1H3,(H,14,16).
What are the key properties of 3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one?
3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one has a molecular weight of 271.10 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one is sourced from PubChem (CID 118243200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).