4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol

C19H21FINO4 — CID 16221509

IUPAC4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol
SMILESC1=CC(=CC=C1/C=C/C2=CC(=C(N=C2)OCCOCCOCCF)I)O
InChIInChI=1S/C19H21FINO4/c20-7-8-24-9-10-25-11-12-26-19-18(21)13-16(14-22-19)2-1-15-3-5-17(23)6-4-15/h1-6,13-14,23H,7-12H2/b2-1+
InChIKeyLZDGOLGBOOPIBJ-OWOJBTEDSA-N
MW473.30 g/mol
LogP3.80
Rot. Bonds11

About 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol

4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol (PubChem CID 16221509) has the molecular formula C19H21FINO4 and a molecular weight of 473.30 g/mol. Its IUPAC name is 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol
PubChem CID16221509
Molecular FormulaC19H21FINO4
Molecular Weight473.30 g/mol
Exact Mass473.05
IUPAC Name4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol
SMILESC1=CC(=CC=C1/C=C/C2=CC(=C(N=C2)OCCOCCOCCF)I)O
InChIInChI=1S/C19H21FINO4/c20-7-8-24-9-10-25-11-12-26-19-18(21)13-16(14-22-19)2-1-15-3-5-17(23)6-4-15/h1-6,13-14,23H,7-12H2/b2-1+
InChIKeyLZDGOLGBOOPIBJ-OWOJBTEDSA-N
XLogP3.80
TPSA60.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity394

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
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

4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
CID 155241
(6-Phenoxypyridin-3-yl)methanol
CID 2776502
2-(Benzyloxy)pyridine
CID 295859
5-Hexyl-2-pyridin-2-yloxyphenol
CID 44450183
(E)-(5-Bromo-6-{2-[2-(2-fluoroethoxy)ethoxy]ethoxy}pyridin-3-yl)-2-(4-hydroxyphenyl)-ethylene
CID 16221447
(e)-(5-Iodo-6-{2-[2-(2-fluoroethoxy)ethoxy]ethoxy}pyridin-3-yl)-2-(4-dimethylaminophenyl)-ethylene
CID 16221507
2-[[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol
CID 16221676
(6-(Benzyloxy)pyridin-3-yl)methanol
CID 59255139
4-[(E)-2-[6-(2-hydroxyethoxy)-5-iodo-3-pyridinyl]ethenyl]phenol
CID 16221567
4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethynyl]-N,N-dimethylaniline
CID 44432253
4-[2-[6-(2-Hydroxyethoxy)-5-iodo-3-pyridinyl]ethynyl]phenol
CID 44432259
4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol
CID 46905980

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol (CID 16221509) is 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol is C1=CC(=CC=C1/C=C/C2=CC(=C(N=C2)OCCOCCOCCF)I)O.
What is the InChIKey of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol?
The InChIKey is LZDGOLGBOOPIBJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C19H21FINO4/c20-7-8-24-9-10-25-11-12-26-19-18(21)13-16(14-22-19)2-1-15-3-5-17(23)6-4-15/h1-6,13-14,23H,7-12H2/b2-1+.
What are the key properties of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol?
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol has a molecular weight of 473.30 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol is sourced from PubChem (CID 16221509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).