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

C16H18BrNO — CID 106878070

IUPAC3-bromo-2-(4-butylphenoxy)-4-methylpyridine
SMILESCCCCc1ccc(Oc2nccc(C)c2Br)cc1
InChIInChI=1S/C16H18BrNO/c1-3-4-5-13-6-8-14(9-7-13)19-16-15(17)12(2)10-11-18-16/h6-11H,3-5H2,1-2H3
InChIKeyOTNRXBIPWPRXKA-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.29
Rot. Bonds5

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

3-bromo-2-(4-butylphenoxy)-4-methylpyridine (PubChem CID 106878070) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-bromo-2-(4-butylphenoxy)-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(4-butylphenoxy)-4-methylpyridine
PubChem CID106878070
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name3-bromo-2-(4-butylphenoxy)-4-methylpyridine
SMILESCCCCc1ccc(Oc2nccc(C)c2Br)cc1
InChIInChI=1S/C16H18BrNO/c1-3-4-5-13-6-8-14(9-7-13)19-16-15(17)12(2)10-11-18-16/h6-11H,3-5H2,1-2H3
InChIKeyOTNRXBIPWPRXKA-UHFFFAOYSA-N
XLogP5.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine
CID 106877873
2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid
CID 115493466
3-bromo-2-(4-butylphenoxy)pyridine
CID 115493013
3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 106877752
3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
CID 82813718
6-(4-butylphenoxy)-5-methylpyridin-3-amine
CID 115492232
3-bromo-4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 106877981
4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
CID 115492565
5-bromo-4-(4-butylphenoxy)-2-chloropyrimidine
CID 113322673
3-(4-butylphenoxy)pyrazine-2-carboxylic acid
CID 115493465
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996
3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
CID 106877761

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-butylphenoxy)-4-methylpyridine?
The IUPAC name of 3-bromo-2-(4-butylphenoxy)-4-methylpyridine (CID 106878070) is 3-bromo-2-(4-butylphenoxy)-4-methylpyridine.
What is the SMILES notation for 3-bromo-2-(4-butylphenoxy)-4-methylpyridine?
The canonical SMILES for 3-bromo-2-(4-butylphenoxy)-4-methylpyridine is CCCCc1ccc(Oc2nccc(C)c2Br)cc1.
What is the InChIKey of 3-bromo-2-(4-butylphenoxy)-4-methylpyridine?
The InChIKey is OTNRXBIPWPRXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-4-5-13-6-8-14(9-7-13)19-16-15(17)12(2)10-11-18-16/h6-11H,3-5H2,1-2H3.
What are the key properties of 3-bromo-2-(4-butylphenoxy)-4-methylpyridine?
3-bromo-2-(4-butylphenoxy)-4-methylpyridine has a molecular weight of 320.23 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-butylphenoxy)-4-methylpyridine is sourced from PubChem (CID 106878070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).