3-bromo-2-(2-ethylhexoxy)-5-methylpyridine

C14H22BrNO — CID 105368253

IUPAC3-bromo-2-(2-ethylhexoxy)-5-methylpyridine
SMILESCCCCC(CC)COc1ncc(C)cc1Br
InChIInChI=1S/C14H22BrNO/c1-4-6-7-12(5-2)10-17-14-13(15)8-11(3)9-16-14/h8-9,12H,4-7,10H2,1-3H3
InChIKeyFUFGTXCWNVCVJR-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.75
Rot. Bonds7

About 3-bromo-2-(2-ethylhexoxy)-5-methylpyridine

3-bromo-2-(2-ethylhexoxy)-5-methylpyridine (PubChem CID 105368253) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-bromo-2-(2-ethylhexoxy)-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(2-ethylhexoxy)-5-methylpyridine
PubChem CID105368253
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-bromo-2-(2-ethylhexoxy)-5-methylpyridine
SMILESCCCCC(CC)COc1ncc(C)cc1Br
InChIInChI=1S/C14H22BrNO/c1-4-6-7-12(5-2)10-17-14-13(15)8-11(3)9-16-14/h8-9,12H,4-7,10H2,1-3H3
InChIKeyFUFGTXCWNVCVJR-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

1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
3-bromo-2-(2-ethylhexoxy)-4-methylpyridine
CID 106877875
1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291293
3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
CID 55200147
[1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine
CID 106777323
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
2-(2-ethylhexoxy)-5-methylpyridin-4-amine
CID 83265865
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
6-(2-ethylhexoxy)-3,5-difluoropyridin-2-amine
CID 114072964
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine
CID 80861413

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-ethylhexoxy)-5-methylpyridine?
The IUPAC name of 3-bromo-2-(2-ethylhexoxy)-5-methylpyridine (CID 105368253) is 3-bromo-2-(2-ethylhexoxy)-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(2-ethylhexoxy)-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(2-ethylhexoxy)-5-methylpyridine is CCCCC(CC)COc1ncc(C)cc1Br.
What is the InChIKey of 3-bromo-2-(2-ethylhexoxy)-5-methylpyridine?
The InChIKey is FUFGTXCWNVCVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-6-7-12(5-2)10-17-14-13(15)8-11(3)9-16-14/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 3-bromo-2-(2-ethylhexoxy)-5-methylpyridine?
3-bromo-2-(2-ethylhexoxy)-5-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)-5-methylpyridine is sourced from PubChem (CID 105368253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).