3-bromo-4-(4-propoxyphenoxy)pyridine

C14H14BrNO2 — CID 104778843

IUPAC3-bromo-4-(4-propoxyphenoxy)pyridine
SMILESCCCOc1ccc(Oc2ccncc2Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-2-9-17-11-3-5-12(6-4-11)18-14-7-8-16-10-13(14)15/h3-8,10H,2,9H2,1H3
InChIKeyGQRWBMXLRBHIJZ-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.43
Rot. Bonds5

About 3-bromo-4-(4-propoxyphenoxy)pyridine

3-bromo-4-(4-propoxyphenoxy)pyridine (PubChem CID 104778843) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-4-(4-propoxyphenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-4-(4-propoxyphenoxy)pyridine
PubChem CID104778843
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-bromo-4-(4-propoxyphenoxy)pyridine
SMILESCCCOc1ccc(Oc2ccncc2Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-2-9-17-11-3-5-12(6-4-11)18-14-7-8-16-10-13(14)15/h3-8,10H,2,9H2,1H3
InChIKeyGQRWBMXLRBHIJZ-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(4-iodophenoxy)pyridine
CID 104776662
3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 104778902
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
4-(4-benzylphenoxy)-3-bromopyridine
CID 104778913
3-bromo-4-pyridin-3-yloxypyridine
CID 11779936
3-bromo-4-(4-bromo-3-fluorophenoxy)pyridine
CID 104776669
3-bromo-4-(3-bromo-4-fluorophenoxy)pyridine
CID 104776674
(1S)-1-[3-bromo-4-(4-propoxyphenoxy)phenyl]ethanamine
CID 63532122
3-ethoxy-4-propoxypyridine
CID 90961233
3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine
CID 106877873
[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80916147
1-(bromomethyl)-4-(4-propoxyphenoxy)benzene
CID 107087461

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-propoxyphenoxy)pyridine?
The IUPAC name of 3-bromo-4-(4-propoxyphenoxy)pyridine (CID 104778843) is 3-bromo-4-(4-propoxyphenoxy)pyridine.
What is the SMILES notation for 3-bromo-4-(4-propoxyphenoxy)pyridine?
The canonical SMILES for 3-bromo-4-(4-propoxyphenoxy)pyridine is CCCOc1ccc(Oc2ccncc2Br)cc1.
What is the InChIKey of 3-bromo-4-(4-propoxyphenoxy)pyridine?
The InChIKey is GQRWBMXLRBHIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-2-9-17-11-3-5-12(6-4-11)18-14-7-8-16-10-13(14)15/h3-8,10H,2,9H2,1H3.
What are the key properties of 3-bromo-4-(4-propoxyphenoxy)pyridine?
3-bromo-4-(4-propoxyphenoxy)pyridine has a molecular weight of 308.18 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-propoxyphenoxy)pyridine is sourced from PubChem (CID 104778843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).