3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine

C12H9BrFNO2 — CID 68876974

IUPAC3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine
SMILESCOc1cc(F)ccc1Oc1ncccc1Br
InChIInChI=1S/C12H9BrFNO2/c1-16-11-7-8(14)4-5-10(11)17-12-9(13)3-2-6-15-12/h2-7H,1H3
InChIKeyXYCCUCVCZPGPOP-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.78
Rot. Bonds3

About 3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine

3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine (PubChem CID 68876974) has the molecular formula C12H9BrFNO2 and a molecular weight of 298.11 g/mol. Its IUPAC name is 3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine
PubChem CID68876974
Molecular FormulaC12H9BrFNO2
Molecular Weight298.11 g/mol
Exact Mass296.98
IUPAC Name3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine
SMILESCOc1cc(F)ccc1Oc1ncccc1Br
InChIInChI=1S/C12H9BrFNO2/c1-16-11-7-8(14)4-5-10(11)17-12-9(13)3-2-6-15-12/h2-7H,1H3
InChIKeyXYCCUCVCZPGPOP-UHFFFAOYSA-N
XLogP3.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine?
The IUPAC name of 3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine (CID 68876974) is 3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine.
What is the SMILES notation for 3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine?
The canonical SMILES for 3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine is COc1cc(F)ccc1Oc1ncccc1Br.
What is the InChIKey of 3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine?
The InChIKey is XYCCUCVCZPGPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2/c1-16-11-7-8(14)4-5-10(11)17-12-9(13)3-2-6-15-12/h2-7H,1H3.
What are the key properties of 3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine?
3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine has a molecular weight of 298.11 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-fluoro-2-methoxyphenoxy)pyridine is sourced from PubChem (CID 68876974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).