2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol

C11H16INO4 — CID 56849565

IUPAC2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOc1ccc(I)cn1
InChIInChI=1S/C11H16INO4/c12-10-1-2-11(13-9-10)17-8-7-16-6-5-15-4-3-14/h1-2,9,14H,3-8H2
InChIKeyNYCKOPKJAVKWAT-UHFFFAOYSA-N
MW353.16 g/mol
LogP1.09
Rot. Bonds9

About 2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol

2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol (PubChem CID 56849565) has the molecular formula C11H16INO4 and a molecular weight of 353.16 g/mol. Its IUPAC name is 2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol
PubChem CID56849565
Molecular FormulaC11H16INO4
Molecular Weight353.16 g/mol
Exact Mass353.01
IUPAC Name2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOc1ccc(I)cn1
InChIInChI=1S/C11H16INO4/c12-10-1-2-11(13-9-10)17-8-7-16-6-5-15-4-3-14/h1-2,9,14H,3-8H2
InChIKeyNYCKOPKJAVKWAT-UHFFFAOYSA-N
XLogP1.09
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol (CID 56849565) is 2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOc1ccc(I)cn1.
What is the InChIKey of 2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol?
The InChIKey is NYCKOPKJAVKWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO4/c12-10-1-2-11(13-9-10)17-8-7-16-6-5-15-4-3-14/h1-2,9,14H,3-8H2.
What are the key properties of 2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol has a molecular weight of 353.16 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 56849565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).