2-(2-chloroethyl)-6-methoxypyridazin-3-one

C7H9ClN2O2 — CID 105061595

IUPAC2-(2-chloroethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCl)n1
InChIInChI=1S/C7H9ClN2O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5H2,1H3
InChIKeyFUNGLVQOJDESMW-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.49
Rot. Bonds3

About 2-(2-chloroethyl)-6-methoxypyridazin-3-one

2-(2-chloroethyl)-6-methoxypyridazin-3-one (PubChem CID 105061595) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-(2-chloroethyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-chloroethyl)-6-methoxypyridazin-3-one
PubChem CID105061595
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-(2-chloroethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCl)n1
InChIInChI=1S/C7H9ClN2O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5H2,1H3
InChIKeyFUNGLVQOJDESMW-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-methoxy-6-pyridazone
CID 96429
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
6-Chloro-2-(2-chloropropyl)pyridazin-3-one
CID 14343593
4-Chloro-6-methoxy-2-methylpyridazin-3-one
CID 14913882
2-[2-(Chloromethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103065898
2-(3-Chloropropyl)-6-methoxypyridazin-3-one
CID 105061588
2-(4-Chlorobutyl)-6-methoxypyridazin-3-one
CID 105061589
2-(6-Chlorohexyl)-6-methoxypyridazin-3-one
CID 105061597
2-(3-Chloro-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061602
2-(5-Chloropentyl)-6-methoxypyridazin-3-one
CID 105061606
2-[2-(2-Chloroethoxy)ethyl]-6-methoxypyridazin-3-one
CID 105061607
2-[(E)-4-chlorobut-2-enyl]-6-methoxypyridazin-3-one
CID 105061608

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-chloroethyl)-6-methoxypyridazin-3-one (CID 105061595) is 2-(2-chloroethyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-chloroethyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-chloroethyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCl)n1.
What is the InChIKey of 2-(2-chloroethyl)-6-methoxypyridazin-3-one?
The InChIKey is FUNGLVQOJDESMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5H2,1H3.
What are the key properties of 2-(2-chloroethyl)-6-methoxypyridazin-3-one?
2-(2-chloroethyl)-6-methoxypyridazin-3-one has a molecular weight of 188.61 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).