6-chloro-2-(4-methoxyphenyl)pyridazin-3-one

C11H9ClN2O2 — CID 824695

IUPAC6-chloro-2-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-n2nc(Cl)ccc2=O)cc1
InChIInChI=1S/C11H9ClN2O2/c1-16-9-4-2-8(3-5-9)14-11(15)7-6-10(12)13-14/h2-7H,1H3
InChIKeyYSLQESNNTSCDAE-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.89
Rot. Bonds2

About 6-chloro-2-(4-methoxyphenyl)pyridazin-3-one

6-chloro-2-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 824695) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-(4-methoxyphenyl)pyridazin-3-one
PubChem CID824695
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name6-chloro-2-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-n2nc(Cl)ccc2=O)cc1
InChIInChI=1S/C11H9ClN2O2/c1-16-9-4-2-8(3-5-9)14-11(15)7-6-10(12)13-14/h2-7H,1H3
InChIKeyYSLQESNNTSCDAE-UHFFFAOYSA-N
XLogP1.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 6-chloro-2-(4-methoxyphenyl)pyridazin-3-one (CID 824695) is 6-chloro-2-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 6-chloro-2-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-n2nc(Cl)ccc2=O)cc1.
What is the InChIKey of 6-chloro-2-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is YSLQESNNTSCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-16-9-4-2-8(3-5-9)14-11(15)7-6-10(12)13-14/h2-7H,1H3.
What are the key properties of 6-chloro-2-(4-methoxyphenyl)pyridazin-3-one?
6-chloro-2-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 236.66 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 824695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).