5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine

C24H26BrIN2O2 — CID 163303976

IUPAC5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine
SMILESCC(C)(C)c1ccc(Oc2cc(Br)cc(Oc3ccc(C(C)(C)C)nc3)c2I)cn1
InChIInChI=1S/C24H26BrIN2O2/c1-23(2,3)20-9-7-16(13-27-20)29-18-11-15(25)12-19(22(18)26)30-17-8-10-21(28-14-17)24(4,5)6/h7-14H,1-6H3
InChIKeyFIZOZRJPINUOLI-UHFFFAOYSA-N
MW581.29 g/mol
LogP8.02
Rot. Bonds4

About 5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine

5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine (PubChem CID 163303976) has the molecular formula C24H26BrIN2O2 and a molecular weight of 581.29 g/mol. Its IUPAC name is 5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine.

Molecular Properties

Compound Name5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine
PubChem CID163303976
Molecular FormulaC24H26BrIN2O2
Molecular Weight581.29 g/mol
Exact Mass580.02
IUPAC Name5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine
SMILESCC(C)(C)c1ccc(Oc2cc(Br)cc(Oc3ccc(C(C)(C)C)nc3)c2I)cn1
InChIInChI=1S/C24H26BrIN2O2/c1-23(2,3)20-9-7-16(13-27-20)29-18-11-15(25)12-19(22(18)26)30-17-8-10-21(28-14-17)24(4,5)6/h7-14H,1-6H3
InChIKeyFIZOZRJPINUOLI-UHFFFAOYSA-N
XLogP8.02
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.29
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(6-tert-butyl-3-pyridinyl) carbamate
CID 175536069
5-(azetidin-3-yloxy)-2-tert-butylpyridine
CID 134595579
[5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine
CID 115487166
5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile
CID 114202973
2-tert-butyl-5-methoxypyridine;pyrrolidine
CID 145197740
[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
CID 113320455
5-(5-bromo-2,3-difluorophenoxy)pyridine-2-carbothioamide
CID 107098345
(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol
CID 107100177
2-tert-butyl-5-(2-phenylethoxy)pyridine
CID 20709511
[3-bromo-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]imino-dimethyl-oxo-λ6-sulfane
CID 177186049
4-bromo-2-tert-butyl-5-methylpyridine
CID 162468681
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol
CID 107284882

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine?
The IUPAC name of 5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine (CID 163303976) is 5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine.
What is the SMILES notation for 5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine?
The canonical SMILES for 5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine is CC(C)(C)c1ccc(Oc2cc(Br)cc(Oc3ccc(C(C)(C)C)nc3)c2I)cn1.
What is the InChIKey of 5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine?
The InChIKey is FIZOZRJPINUOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrIN2O2/c1-23(2,3)20-9-7-16(13-27-20)29-18-11-15(25)12-19(22(18)26)30-17-8-10-21(28-14-17)24(4,5)6/h7-14H,1-6H3.
What are the key properties of 5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine?
5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine has a molecular weight of 581.29 g/mol, XLogP of 8.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-3-[(6-tert-butyl-3-pyridinyl)oxy]-2-iodophenoxy]-2-tert-butylpyridine is sourced from PubChem (CID 163303976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).