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

C11H8Cl2N2O2 — CID 23014103

IUPAC6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one
SMILESCc1c(Cl)cccc1Oc1n[nH]c(Cl)cc1=O
InChIInChI=1S/C11H8Cl2N2O2/c1-6-7(12)3-2-4-9(6)17-11-8(16)5-10(13)14-15-11/h2-5H,1H3,(H,14,16)
InChIKeyIEVRSUVYWNZCFR-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.18
Rot. Bonds2

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

6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one (PubChem CID 23014103) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one
PubChem CID23014103
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one
SMILESCc1c(Cl)cccc1Oc1n[nH]c(Cl)cc1=O
InChIInChI=1S/C11H8Cl2N2O2/c1-6-7(12)3-2-4-9(6)17-11-8(16)5-10(13)14-15-11/h2-5H,1H3,(H,14,16)
InChIKeyIEVRSUVYWNZCFR-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 6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one?
The IUPAC name of 6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one (CID 23014103) is 6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one.
What is the SMILES notation for 6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one?
The canonical SMILES for 6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one is Cc1c(Cl)cccc1Oc1n[nH]c(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one?
The InChIKey is IEVRSUVYWNZCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-6-7(12)3-2-4-9(6)17-11-8(16)5-10(13)14-15-11/h2-5H,1H3,(H,14,16).
What are the key properties of 6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one?
6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-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 6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one is sourced from PubChem (CID 23014103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).