4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one

C7H9ClN2O3 — CID 10584352

IUPAC4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one
SMILESCOCn1ncc(OC)c(Cl)c1=O
InChIInChI=1S/C7H9ClN2O3/c1-12-4-10-7(11)6(8)5(13-2)3-9-10/h3H,4H2,1-2H3
InChIKeySWJVVSUFDYDPMK-UHFFFAOYSA-N
MW204.61 g/mol
LogP0.51
Rot. Bonds3

About 4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one

4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one (PubChem CID 10584352) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one
PubChem CID10584352
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one
SMILESCOCn1ncc(OC)c(Cl)c1=O
InChIInChI=1S/C7H9ClN2O3/c1-12-4-10-7(11)6(8)5(13-2)3-9-10/h3H,4H2,1-2H3
InChIKeySWJVVSUFDYDPMK-UHFFFAOYSA-N
XLogP0.51
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one (CID 10584352) is 4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one is COCn1ncc(OC)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one?
The InChIKey is SWJVVSUFDYDPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c1-12-4-10-7(11)6(8)5(13-2)3-9-10/h3H,4H2,1-2H3.
What are the key properties of 4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one?
4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one has a molecular weight of 204.61 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-(methoxymethyl)pyridazin-3-one is sourced from PubChem (CID 10584352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).