2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine

C13H13BrN2O2 — CID 113370726

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine
SMILESCCCOc1cccnc1Oc1cncc(Br)c1
InChIInChI=1S/C13H13BrN2O2/c1-2-6-17-12-4-3-5-16-13(12)18-11-7-10(14)8-15-9-11/h3-5,7-9H,2,6H2,1H3
InChIKeyZBXBQBLORHSNKY-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.82
Rot. Bonds5

About 2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine

2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine (PubChem CID 113370726) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine
PubChem CID113370726
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine
SMILESCCCOc1cccnc1Oc1cncc(Br)c1
InChIInChI=1S/C13H13BrN2O2/c1-2-6-17-12-4-3-5-16-13(12)18-11-7-10(14)8-15-9-11/h3-5,7-9H,2,6H2,1H3
InChIKeyZBXBQBLORHSNKY-UHFFFAOYSA-N
XLogP3.82
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine 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

2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid
CID 107672662
5-(2-propoxyphenoxy)pyridin-3-amine
CID 113424320
2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine
CID 107724263
2-propoxy-6-pyridin-3-yloxyaniline
CID 113393434
2-[(5-bromo-3-pyridinyl)oxy]-5-methoxypyridine
CID 106503856
1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone
CID 116541551
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
2,3-didecoxypyridine
CID 151922374
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 113398222
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167
3-[(3-ethoxy-2-pyridinyl)oxy]phenol
CID 113371152
3-bromopyridine;3-(2-ethoxyphenoxy)pyridine
CID 118385972

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine (CID 113370726) is 2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine is CCCOc1cccnc1Oc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine?
The InChIKey is ZBXBQBLORHSNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-2-6-17-12-4-3-5-16-13(12)18-11-7-10(14)8-15-9-11/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine?
2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine has a molecular weight of 309.16 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine is sourced from PubChem (CID 113370726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).