3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine

C14H14BrNO2 — CID 106877996

IUPAC3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
SMILESCCOc1cccc(Oc2nccc(C)c2Br)c1
InChIInChI=1S/C14H14BrNO2/c1-3-17-11-5-4-6-12(9-11)18-14-13(15)10(2)7-8-16-14/h4-9H,3H2,1-2H3
InChIKeyDBZWTGJANPEKGC-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.34
Rot. Bonds4

About 3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine

3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine (PubChem CID 106877996) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
PubChem CID106877996
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
SMILESCCOc1cccc(Oc2nccc(C)c2Br)c1
InChIInChI=1S/C14H14BrNO2/c1-3-17-11-5-4-6-12(9-11)18-14-13(15)10(2)7-8-16-14/h4-9H,3H2,1-2H3
InChIKeyDBZWTGJANPEKGC-UHFFFAOYSA-N
XLogP4.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine 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

3-bromo-2-(3-ethylphenoxy)-4-methylpyridine
CID 106877847
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
CID 106877947
3-(3-ethoxyphenoxy)pyrazin-2-amine
CID 102988136
3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine
CID 106877873
3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 106877752
3-bromo-2-(2-ethylphenoxy)-4-methylpyridine
CID 106877891
3-bromo-2-(4-butylphenoxy)-4-methylpyridine
CID 106878070
3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
CID 106877761
3-bromo-4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 106877981
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
CID 106875367
5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
CID 55060803

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine?
The IUPAC name of 3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine (CID 106877996) is 3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine.
What is the SMILES notation for 3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine?
The canonical SMILES for 3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine is CCOc1cccc(Oc2nccc(C)c2Br)c1.
What is the InChIKey of 3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine?
The InChIKey is DBZWTGJANPEKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-3-17-11-5-4-6-12(9-11)18-14-13(15)10(2)7-8-16-14/h4-9H,3H2,1-2H3.
What are the key properties of 3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine?
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine has a molecular weight of 308.18 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine is sourced from PubChem (CID 106877996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).