2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine

C12H9BrFNO2 — CID 104707654

IUPAC2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine
SMILESCOc1ccc(Oc2ncccc2F)c(Br)c1
InChIInChI=1S/C12H9BrFNO2/c1-16-8-4-5-11(9(13)7-8)17-12-10(14)3-2-6-15-12/h2-7H,1H3
InChIKeyHKZMYXCYOYZRMS-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.78
Rot. Bonds3

About 2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine

2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine (PubChem CID 104707654) has the molecular formula C12H9BrFNO2 and a molecular weight of 298.11 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine
PubChem CID104707654
Molecular FormulaC12H9BrFNO2
Molecular Weight298.11 g/mol
Exact Mass296.98
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine
SMILESCOc1ccc(Oc2ncccc2F)c(Br)c1
InChIInChI=1S/C12H9BrFNO2/c1-16-8-4-5-11(9(13)7-8)17-12-10(14)3-2-6-15-12/h2-7H,1H3
InChIKeyHKZMYXCYOYZRMS-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

Analyze 2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine (CID 104707654) is 2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine is COc1ccc(Oc2ncccc2F)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine?
The InChIKey is HKZMYXCYOYZRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2/c1-16-8-4-5-11(9(13)7-8)17-12-10(14)3-2-6-15-12/h2-7H,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine?
2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine 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 2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine is sourced from PubChem (CID 104707654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).