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

C14H22BrNO — CID 106877875

IUPAC3-bromo-2-(2-ethylhexoxy)-4-methylpyridine
SMILESCCCCC(CC)COc1nccc(C)c1Br
InChIInChI=1S/C14H22BrNO/c1-4-6-7-12(5-2)10-17-14-13(15)11(3)8-9-16-14/h8-9,12H,4-7,10H2,1-3H3
InChIKeyIOXDVWWYNNTDIR-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.75
Rot. Bonds7

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

3-bromo-2-(2-ethylhexoxy)-4-methylpyridine (PubChem CID 106877875) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-bromo-2-(2-ethylhexoxy)-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(2-ethylhexoxy)-4-methylpyridine
PubChem CID106877875
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-bromo-2-(2-ethylhexoxy)-4-methylpyridine
SMILESCCCCC(CC)COc1nccc(C)c1Br
InChIInChI=1S/C14H22BrNO/c1-4-6-7-12(5-2)10-17-14-13(15)11(3)8-9-16-14/h8-9,12H,4-7,10H2,1-3H3
InChIKeyIOXDVWWYNNTDIR-UHFFFAOYSA-N
XLogP4.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(2-ethylhexoxy)-5-methylpyridine
CID 105368253
[2-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 61257576
2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid
CID 105379977
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine
CID 62290565
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375
3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
CID 55200147
2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid
CID 63514366
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
3-(2-ethylhexoxy)-4-methylthiophene
CID 23049597
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-ethylhexoxy)-4-methylpyridine?
The IUPAC name of 3-bromo-2-(2-ethylhexoxy)-4-methylpyridine (CID 106877875) is 3-bromo-2-(2-ethylhexoxy)-4-methylpyridine.
What is the SMILES notation for 3-bromo-2-(2-ethylhexoxy)-4-methylpyridine?
The canonical SMILES for 3-bromo-2-(2-ethylhexoxy)-4-methylpyridine is CCCCC(CC)COc1nccc(C)c1Br.
What is the InChIKey of 3-bromo-2-(2-ethylhexoxy)-4-methylpyridine?
The InChIKey is IOXDVWWYNNTDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-6-7-12(5-2)10-17-14-13(15)11(3)8-9-16-14/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 3-bromo-2-(2-ethylhexoxy)-4-methylpyridine?
3-bromo-2-(2-ethylhexoxy)-4-methylpyridine has a molecular weight of 300.24 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-ethylhexoxy)-4-methylpyridine is sourced from PubChem (CID 106877875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).