3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine

C14H21Cl2NO — CID 63479122

IUPAC3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine
SMILESCCCCC(CC)COCc1nc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-5-6-11(4-2)9-18-10-13-12(15)7-8-14(16)17-13/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyPJXCYKQDDDXSMY-UHFFFAOYSA-N
MW290.23 g/mol
LogP5.12
Rot. Bonds8

About 3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine

3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine (PubChem CID 63479122) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine
PubChem CID63479122
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine
SMILESCCCCC(CC)COCc1nc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-5-6-11(4-2)9-18-10-13-12(15)7-8-14(16)17-13/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyPJXCYKQDDDXSMY-UHFFFAOYSA-N
XLogP5.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.23
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2-ethylhexoxymethyl)aniline
CID 63747486
1-tert-butyl-4-(2-ethylhexoxymethyl)benzene
CID 134220783
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63491260
1-chloro-3-[3-chloro-2-(2-ethylhexoxy)-6-methylphenyl]-2-(2-ethylhexoxy)-4-methylbenzene
CID 21028376
4-[2-bromo-1-(2-ethylhexoxy)ethyl]-1,2-dichlorobenzene
CID 30565
3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine
CID 62892935
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
2-(2-ethylhexoxymethyl)benzonitrile
CID 43128129

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine?
The IUPAC name of 3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine (CID 63479122) is 3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine.
What is the SMILES notation for 3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine?
The canonical SMILES for 3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine is CCCCC(CC)COCc1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine?
The InChIKey is PJXCYKQDDDXSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-5-6-11(4-2)9-18-10-13-12(15)7-8-14(16)17-13/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine?
3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine has a molecular weight of 290.23 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine is sourced from PubChem (CID 63479122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).