2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine

C14H13Br2NO — CID 113302880

IUPAC2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1cc(Br)ccc1Oc1cccc(Br)n1
InChIInChI=1S/C14H13Br2NO/c1-9(2)11-8-10(15)6-7-12(11)18-14-5-3-4-13(16)17-14/h3-9H,1-2H3
InChIKeyJFUGKPUECIGWLK-UHFFFAOYSA-N
MW371.07 g/mol
LogP5.52
Rot. Bonds3

About 2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine

2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine (PubChem CID 113302880) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
PubChem CID113302880
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1cc(Br)ccc1Oc1cccc(Br)n1
InChIInChI=1S/C14H13Br2NO/c1-9(2)11-8-10(15)6-7-12(11)18-14-5-3-4-13(16)17-14/h3-9H,1-2H3
InChIKeyJFUGKPUECIGWLK-UHFFFAOYSA-N
XLogP5.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.07
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine
CID 115403081
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
CID 113303074
6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine
CID 115401558
6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 113303072
[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
CID 115402686
(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
CID 167738069
3-(4-bromo-2-propan-2-ylphenoxy)-6-(chloromethyl)pyridazine
CID 113303012
6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine
CID 115403123
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115401784

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine?
The IUPAC name of 2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine (CID 113302880) is 2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine is CC(C)c1cc(Br)ccc1Oc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine?
The InChIKey is JFUGKPUECIGWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-9(2)11-8-10(15)6-7-12(11)18-14-5-3-4-13(16)17-14/h3-9H,1-2H3.
What are the key properties of 2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine?
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine has a molecular weight of 371.07 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 113302880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).