5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one

C9H13IN2O3 — CID 114553616

IUPAC5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
SMILESCOCCOCCn1ncc(I)cc1=O
InChIInChI=1S/C9H13IN2O3/c1-14-4-5-15-3-2-12-9(13)6-8(10)7-11-12/h6-7H,2-5H2,1H3
InChIKeyAZRXIJATLIZVIF-UHFFFAOYSA-N
MW324.12 g/mol
LogP0.51
Rot. Bonds6

About 5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one

5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one (PubChem CID 114553616) has the molecular formula C9H13IN2O3 and a molecular weight of 324.12 g/mol. Its IUPAC name is 5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
PubChem CID114553616
Molecular FormulaC9H13IN2O3
Molecular Weight324.12 g/mol
Exact Mass324.00
IUPAC Name5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
SMILESCOCCOCCn1ncc(I)cc1=O
InChIInChI=1S/C9H13IN2O3/c1-14-4-5-15-3-2-12-9(13)6-8(10)7-11-12/h6-7H,2-5H2,1H3
InChIKeyAZRXIJATLIZVIF-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 ≤ 500324.12
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-Iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 114553648
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-[2-(2-Methoxyethoxy)ethyl]pyridazin-3-one
CID 141119119
5-Iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103182082
5-Iodo-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one
CID 103411698
5-Iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455795
5-Iodo-2-(2-propoxyethyl)pyridazin-3-one
CID 106455796
2-[2-(2-Hydroxyethoxy)ethyl]-5-methylpyridazin-3-one
CID 106548852
2-(2-Ethoxyethyl)-5-iodopyridazin-3-one
CID 114553305
2-(3-Ethoxypropyl)-5-iodopyridazin-3-one
CID 114553355
2-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-5-iodopyridazin-3-one
CID 114553363
5-Iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 114553393

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one (CID 114553616) is 5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one is COCCOCCn1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one?
The InChIKey is AZRXIJATLIZVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O3/c1-14-4-5-15-3-2-12-9(13)6-8(10)7-11-12/h6-7H,2-5H2,1H3.
What are the key properties of 5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one?
5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one has a molecular weight of 324.12 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 5-iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 114553616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).