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

C14H13Br2NO — CID 115402194

IUPAC3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1cc(Br)ccc1Oc1ncccc1Br
InChIInChI=1S/C14H13Br2NO/c1-9(2)11-8-10(15)5-6-13(11)18-14-12(16)4-3-7-17-14/h3-9H,1-2H3
InChIKeyWNVDSTBCVFJPDZ-UHFFFAOYSA-N
MW371.07 g/mol
LogP5.52
Rot. Bonds3

About 3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine

3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine (PubChem CID 115402194) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
PubChem CID115402194
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1cc(Br)ccc1Oc1ncccc1Br
InChIInChI=1S/C14H13Br2NO/c1-9(2)11-8-10(15)5-6-13(11)18-14-12(16)4-3-7-17-14/h3-9H,1-2H3
InChIKeyWNVDSTBCVFJPDZ-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

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide
CID 115928526
3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
CID 114673272
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 115402309
(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol
CID 114056463
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine
CID 113302971
5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 65429796
4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
CID 113303074
(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
CID 167738069
4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 115401775
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine?
The IUPAC name of 3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine (CID 115402194) is 3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine is CC(C)c1cc(Br)ccc1Oc1ncccc1Br.
What is the InChIKey of 3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine?
The InChIKey is WNVDSTBCVFJPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-9(2)11-8-10(15)5-6-13(11)18-14-12(16)4-3-7-17-14/h3-9H,1-2H3.
What are the key properties of 3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine?
3-bromo-2-(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 3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 115402194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).