3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine

C16H26ClNO — CID 55200147

IUPAC3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
SMILESCCCCC(CC)COc1nc(C)cc(C)c1CCl
InChIInChI=1S/C16H26ClNO/c1-5-7-8-14(6-2)11-19-16-15(10-17)12(3)9-13(4)18-16/h9,14H,5-8,10-11H2,1-4H3
InChIKeyWDYXEJLPPOFPND-UHFFFAOYSA-N
MW283.84 g/mol
LogP5.03
Rot. Bonds8

About 3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine

3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine (PubChem CID 55200147) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
PubChem CID55200147
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
SMILESCCCCC(CC)COc1nc(C)cc(C)c1CCl
InChIInChI=1S/C16H26ClNO/c1-5-7-8-14(6-2)11-19-16-15(10-17)12(3)9-13(4)18-16/h9,14H,5-8,10-11H2,1-4H3
InChIKeyWDYXEJLPPOFPND-UHFFFAOYSA-N
XLogP5.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.84
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176560
4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine
CID 80861413
[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine
CID 81050477
2-(chloromethyl)-6-(2-ethylhexoxy)pyridine
CID 63446521
2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid
CID 63514366
3-bromo-2-(2-ethylhexoxy)-5-methylpyridine
CID 105368253
2-(2-ethylhexoxy)-5-methylpyridin-4-amine
CID 83265865
3-bromo-2-(2-ethylhexoxy)-4-methylpyridine
CID 106877875
6-(2-ethylhexoxy)-3,5-difluoropyridin-2-amine
CID 114072964
6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine
CID 80861981
5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene
CID 79887959
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine?
The IUPAC name of 3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine (CID 55200147) is 3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine?
The canonical SMILES for 3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine is CCCCC(CC)COc1nc(C)cc(C)c1CCl.
What is the InChIKey of 3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine?
The InChIKey is WDYXEJLPPOFPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-7-8-14(6-2)11-19-16-15(10-17)12(3)9-13(4)18-16/h9,14H,5-8,10-11H2,1-4H3.
What are the key properties of 3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine?
3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine has a molecular weight of 283.84 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine is sourced from PubChem (CID 55200147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).