2-(2-ethoxyethyl)-5-iodopyridazin-3-one

C8H11IN2O2 — CID 114553305

IUPAC2-(2-ethoxyethyl)-5-iodopyridazin-3-one
SMILESCCOCCn1ncc(I)cc1=O
InChIInChI=1S/C8H11IN2O2/c1-2-13-4-3-11-8(12)5-7(9)6-10-11/h5-6H,2-4H2,1H3
InChIKeyXNCAPQBCNRGROG-UHFFFAOYSA-N
MW294.09 g/mol
LogP0.88
Rot. Bonds4

About 2-(2-ethoxyethyl)-5-iodopyridazin-3-one

2-(2-ethoxyethyl)-5-iodopyridazin-3-one (PubChem CID 114553305) has the molecular formula C8H11IN2O2 and a molecular weight of 294.09 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-5-iodopyridazin-3-one
PubChem CID114553305
Molecular FormulaC8H11IN2O2
Molecular Weight294.09 g/mol
Exact Mass293.99
IUPAC Name2-(2-ethoxyethyl)-5-iodopyridazin-3-one
SMILESCCOCCn1ncc(I)cc1=O
InChIInChI=1S/C8H11IN2O2/c1-2-13-4-3-11-8(12)5-7(9)6-10-11/h5-6H,2-4H2,1H3
InChIKeyXNCAPQBCNRGROG-UHFFFAOYSA-N
XLogP0.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
5-Iodo-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
CID 114553723
2-(2-Ethoxyethyl)-5-hydroxypyridazin-3-one
CID 57059473
2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865610
5-chloro-2-(2-methoxyethyl)pyridazin-3(2H)-one
CID 66866737
2-(2-Methoxyethyl)pyridazin-3-one
CID 91288626
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-[2-(2-Methoxyethoxy)ethyl]pyridazin-3-one
CID 141119119
Methyl 2-(4-iodo-6-oxopyridazin-1-yl)propanoate
CID 150353195
2-(2-Methoxyethyl)pyridazin-3-one;hydrochloride
CID 176084314
5-Iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103182082
5-Iodo-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one
CID 103411698

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(2-ethoxyethyl)-5-iodopyridazin-3-one (CID 114553305) is 2-(2-ethoxyethyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(2-ethoxyethyl)-5-iodopyridazin-3-one is CCOCCn1ncc(I)cc1=O.
What is the InChIKey of 2-(2-ethoxyethyl)-5-iodopyridazin-3-one?
The InChIKey is XNCAPQBCNRGROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O2/c1-2-13-4-3-11-8(12)5-7(9)6-10-11/h5-6H,2-4H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)-5-iodopyridazin-3-one?
2-(2-ethoxyethyl)-5-iodopyridazin-3-one has a molecular weight of 294.09 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).