4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine

C14H14BrNO2 — CID 104707451

IUPAC4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine
SMILESCOc1ccc(OCCc2ccncc2)c(Br)c1
InChIInChI=1S/C14H14BrNO2/c1-17-12-2-3-14(13(15)10-12)18-9-6-11-4-7-16-8-5-11/h2-5,7-8,10H,6,9H2,1H3
InChIKeyKFUAEEOCGZSPCG-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.47
Rot. Bonds5

About 4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine

4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine (PubChem CID 104707451) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine
PubChem CID104707451
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine
SMILESCOc1ccc(OCCc2ccncc2)c(Br)c1
InChIInChI=1S/C14H14BrNO2/c1-17-12-2-3-14(13(15)10-12)18-9-6-11-4-7-16-8-5-11/h2-5,7-8,10H,6,9H2,1H3
InChIKeyKFUAEEOCGZSPCG-UHFFFAOYSA-N
XLogP3.47
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

[4-methoxy-2-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 61268316
1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine
CID 65430834
1-[3-bromo-4-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
CID 63051166
[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
CID 60892245
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
CID 104704629
4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891318
2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 104707500

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine?
The IUPAC name of 4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine (CID 104707451) is 4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine.
What is the SMILES notation for 4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine?
The canonical SMILES for 4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine is COc1ccc(OCCc2ccncc2)c(Br)c1.
What is the InChIKey of 4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine?
The InChIKey is KFUAEEOCGZSPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-17-12-2-3-14(13(15)10-12)18-9-6-11-4-7-16-8-5-11/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine?
4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine has a molecular weight of 308.18 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine is sourced from PubChem (CID 104707451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).