6-chloro-2-(2-methoxyethyl)pyridazin-3-one

C7H9ClN2O2 — CID 162363834

IUPAC6-chloro-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(Cl)ccc1=O
InChIInChI=1S/C7H9ClN2O2/c1-12-5-4-10-7(11)3-2-6(8)9-10/h2-3H,4-5H2,1H3
InChIKeyAIGJMZCHSIPUDF-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.54
Rot. Bonds3

About 6-chloro-2-(2-methoxyethyl)pyridazin-3-one

6-chloro-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 162363834) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 6-chloro-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID162363834
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name6-chloro-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(Cl)ccc1=O
InChIInChI=1S/C7H9ClN2O2/c1-12-5-4-10-7(11)3-2-6(8)9-10/h2-3H,4-5H2,1H3
InChIKeyAIGJMZCHSIPUDF-UHFFFAOYSA-N
XLogP0.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 6-chloro-2-(2-methoxyethyl)pyridazin-3-one (CID 162363834) is 6-chloro-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-chloro-2-(2-methoxyethyl)pyridazin-3-one is COCCn1nc(Cl)ccc1=O.
What is the InChIKey of 6-chloro-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is AIGJMZCHSIPUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-12-5-4-10-7(11)3-2-6(8)9-10/h2-3H,4-5H2,1H3.
What are the key properties of 6-chloro-2-(2-methoxyethyl)pyridazin-3-one?
6-chloro-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 188.61 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 162363834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).