2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine

C11H15FINO3 — CID 169211098

IUPAC2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine
SMILESFc1cc(OCCOCCOCCI)ccn1
InChIInChI=1S/C11H15FINO3/c12-11-9-10(1-3-14-11)17-8-7-16-6-5-15-4-2-13/h1,3,9H,2,4-8H2
InChIKeyKRRAUZNLMTVGOI-UHFFFAOYSA-N
MW355.15 g/mol
LogP2.07
Rot. Bonds9

About 2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine

2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine (PubChem CID 169211098) has the molecular formula C11H15FINO3 and a molecular weight of 355.15 g/mol. Its IUPAC name is 2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine.

Molecular Properties

Compound Name2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine
PubChem CID169211098
Molecular FormulaC11H15FINO3
Molecular Weight355.15 g/mol
Exact Mass355.01
IUPAC Name2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine
SMILESFc1cc(OCCOCCOCCI)ccn1
InChIInChI=1S/C11H15FINO3/c12-11-9-10(1-3-14-11)17-8-7-16-6-5-15-4-2-13/h1,3,9H,2,4-8H2
InChIKeyKRRAUZNLMTVGOI-UHFFFAOYSA-N
XLogP2.07
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine?
The IUPAC name of 2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine (CID 169211098) is 2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine.
What is the SMILES notation for 2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine?
The canonical SMILES for 2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine is Fc1cc(OCCOCCOCCI)ccn1.
What is the InChIKey of 2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine?
The InChIKey is KRRAUZNLMTVGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FINO3/c12-11-9-10(1-3-14-11)17-8-7-16-6-5-15-4-2-13/h1,3,9H,2,4-8H2.
What are the key properties of 2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine?
2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine has a molecular weight of 355.15 g/mol, XLogP of 2.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]pyridine is sourced from PubChem (CID 169211098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).