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

C11H17IN2O4 — CID 114553526

IUPAC5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one
SMILESCOCCOCCOCCn1ncc(I)cc1=O
InChIInChI=1S/C11H17IN2O4/c1-16-4-5-18-7-6-17-3-2-14-11(15)8-10(12)9-13-14/h8-9H,2-7H2,1H3
InChIKeyXIDFKDCJEOLYBS-UHFFFAOYSA-N
MW368.17 g/mol
LogP0.53
Rot. Bonds9

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

5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one (PubChem CID 114553526) has the molecular formula C11H17IN2O4 and a molecular weight of 368.17 g/mol. Its IUPAC name is 5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one
PubChem CID114553526
Molecular FormulaC11H17IN2O4
Molecular Weight368.17 g/mol
Exact Mass368.02
IUPAC Name5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one
SMILESCOCCOCCOCCn1ncc(I)cc1=O
InChIInChI=1S/C11H17IN2O4/c1-16-4-5-18-7-6-17-3-2-14-11(15)8-10(12)9-13-14/h8-9H,2-7H2,1H3
InChIKeyXIDFKDCJEOLYBS-UHFFFAOYSA-N
XLogP0.53
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(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-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-(1-methoxypropan-2-yl)pyridazin-3-one
CID 114553408
5-Iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 114553434
5-Iodo-2-(2-methoxyethyl)pyridazin-3-one
CID 114553498

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one (CID 114553526) is 5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one is COCCOCCOCCn1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one?
The InChIKey is XIDFKDCJEOLYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O4/c1-16-4-5-18-7-6-17-3-2-14-11(15)8-10(12)9-13-14/h8-9H,2-7H2,1H3.
What are the key properties of 5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one?
5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one has a molecular weight of 368.17 g/mol, XLogP of 0.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one is sourced from PubChem (CID 114553526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).