2-(chloromethyl)-6-(2-ethylhexoxy)pyridine

C14H22ClNO — CID 63446521

IUPAC2-(chloromethyl)-6-(2-ethylhexoxy)pyridine
SMILESCCCCC(CC)COc1cccc(CCl)n1
InChIInChI=1S/C14H22ClNO/c1-3-5-7-12(4-2)11-17-14-9-6-8-13(10-15)16-14/h6,8-9,12H,3-5,7,10-11H2,1-2H3
InChIKeyBCQMLBMTANWZCJ-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.42
Rot. Bonds8

About 2-(chloromethyl)-6-(2-ethylhexoxy)pyridine

2-(chloromethyl)-6-(2-ethylhexoxy)pyridine (PubChem CID 63446521) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(2-ethylhexoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(2-ethylhexoxy)pyridine
PubChem CID63446521
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(chloromethyl)-6-(2-ethylhexoxy)pyridine
SMILESCCCCC(CC)COc1cccc(CCl)n1
InChIInChI=1S/C14H22ClNO/c1-3-5-7-12(4-2)11-17-14-9-6-8-13(10-15)16-14/h6,8-9,12H,3-5,7,10-11H2,1-2H3
InChIKeyBCQMLBMTANWZCJ-UHFFFAOYSA-N
XLogP4.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-(2-ethylhexoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-6-heptoxypyridine
CID 63446220
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
CID 55200147
6-(2-ethylhexoxy)-2-propoxypyridin-3-amine
CID 43262515
2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66450602
2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine
CID 66232512
1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375
2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene
CID 55224763
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858
4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine
CID 63736036

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(2-ethylhexoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(2-ethylhexoxy)pyridine (CID 63446521) is 2-(chloromethyl)-6-(2-ethylhexoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(2-ethylhexoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(2-ethylhexoxy)pyridine is CCCCC(CC)COc1cccc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-(2-ethylhexoxy)pyridine?
The InChIKey is BCQMLBMTANWZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-5-7-12(4-2)11-17-14-9-6-8-13(10-15)16-14/h6,8-9,12H,3-5,7,10-11H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-(2-ethylhexoxy)pyridine?
2-(chloromethyl)-6-(2-ethylhexoxy)pyridine has a molecular weight of 255.79 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(2-ethylhexoxy)pyridine is sourced from PubChem (CID 63446521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).