3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine

C15H16BrNO2 — CID 106877873

IUPAC3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine
SMILESCCCOc1ccc(Oc2nccc(C)c2Br)cc1
InChIInChI=1S/C15H16BrNO2/c1-3-10-18-12-4-6-13(7-5-12)19-15-14(16)11(2)8-9-17-15/h4-9H,3,10H2,1-2H3
InChIKeyGUIUTODDKYVQBF-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.73
Rot. Bonds5

About 3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine

3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine (PubChem CID 106877873) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine
PubChem CID106877873
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine
SMILESCCCOc1ccc(Oc2nccc(C)c2Br)cc1
InChIInChI=1S/C15H16BrNO2/c1-3-10-18-12-4-6-13(7-5-12)19-15-14(16)11(2)8-9-17-15/h4-9H,3,10H2,1-2H3
InChIKeyGUIUTODDKYVQBF-UHFFFAOYSA-N
XLogP4.73
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(4-butylphenoxy)-4-methylpyridine
CID 106878070
3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 106877752
3-bromo-4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 106877981
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996
3-bromo-2-(3-ethylphenoxy)-4-methylpyridine
CID 106877847
3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
CID 106878112
3-bromo-2-(2-ethylphenoxy)-4-methylpyridine
CID 106877891
3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
CID 106877761
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
CID 106875367
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396
3-bromo-2-(3,3-dimethylbutoxy)-4-methylpyridine
CID 106878042
3-bromo-4-(4-propoxyphenoxy)pyridine
CID 104778843

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine?
The IUPAC name of 3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine (CID 106877873) is 3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine.
What is the SMILES notation for 3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine?
The canonical SMILES for 3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine is CCCOc1ccc(Oc2nccc(C)c2Br)cc1.
What is the InChIKey of 3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine?
The InChIKey is GUIUTODDKYVQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-3-10-18-12-4-6-13(7-5-12)19-15-14(16)11(2)8-9-17-15/h4-9H,3,10H2,1-2H3.
What are the key properties of 3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine?
3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine has a molecular weight of 322.20 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine is sourced from PubChem (CID 106877873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).