2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one

C9H13ClN2O3 — CID 105061607

IUPAC2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCOCCCl)n1
InChIInChI=1S/C9H13ClN2O3/c1-14-8-2-3-9(13)12(11-8)5-7-15-6-4-10/h2-3H,4-7H2,1H3
InChIKeyCBCJDFUPHSWTIP-UHFFFAOYSA-N
MW232.67 g/mol
LogP0.51
Rot. Bonds6

About 2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one

2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one (PubChem CID 105061607) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one
PubChem CID105061607
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCOCCCl)n1
InChIInChI=1S/C9H13ClN2O3/c1-14-8-2-3-9(13)12(11-8)5-7-15-6-4-10/h2-3H,4-7H2,1H3
InChIKeyCBCJDFUPHSWTIP-UHFFFAOYSA-N
XLogP0.51
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Chloroethyl)-6-(4-methoxy)-3(2h)-pyridazinone
CID 105061595
6-Chloro-2-(2-methoxyethyl)pyridazin-3-one
CID 162363834
3(2H)-Pyridazinone, 6-[2-(diethylamino)ethoxy]-2-methyl-
CID 12015112
2-[2-(2-Chloroethoxy)ethyl]pyridazin-3-one
CID 63664398
2-[2-(2-Chloroethoxy)ethyl]-6-methylpyridazin-3-one
CID 63664601
2-[2-(2-Aminoethoxy)ethyl]-6-methoxypyridazin-3-one
CID 103482444
2-(3-Chloropropyl)-6-methoxypyridazin-3-one
CID 105061588
2-(4-Chlorobutyl)-6-methoxypyridazin-3-one
CID 105061589
2-(3-Chloro-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061602
2-[(E)-4-chlorobut-2-enyl]-6-methoxypyridazin-3-one
CID 105061608
2-(3-Chloro-2-hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061611
2-(2-Chloroprop-2-enyl)-6-methoxypyridazin-3-one
CID 130676496

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one (CID 105061607) is 2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCOCCCl)n1.
What is the InChIKey of 2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one?
The InChIKey is CBCJDFUPHSWTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3/c1-14-8-2-3-9(13)12(11-8)5-7-15-6-4-10/h2-3H,4-7H2,1H3.
What are the key properties of 2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one?
2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one has a molecular weight of 232.67 g/mol, XLogP of 0.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethoxy)ethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).