3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine

C14H22ClNO — CID 103174559

IUPAC3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1OCCCCCCCl
InChIInChI=1S/C14H22ClNO/c1-3-13-14(9-8-12(2)16-13)17-11-7-5-4-6-10-15/h8-9H,3-7,10-11H2,1-2H3
InChIKeyLKWDTUSMWYJEEL-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.13
Rot. Bonds8

About 3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine

3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine (PubChem CID 103174559) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine.

Molecular Properties

Compound Name3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
PubChem CID103174559
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1OCCCCCCCl
InChIInChI=1S/C14H22ClNO/c1-3-13-14(9-8-12(2)16-13)17-11-7-5-4-6-10-15/h8-9H,3-7,10-11H2,1-2H3
InChIKeyLKWDTUSMWYJEEL-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine
CID 103174565
2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
CID 99831600
2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
CID 79169037
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
CID 106454021
2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride
CID 103176066
2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 103175707
1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine
CID 79164912

Frequently Asked Questions

What is the IUPAC name of 3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine?
The IUPAC name of 3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine (CID 103174559) is 3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine.
What is the SMILES notation for 3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine?
The canonical SMILES for 3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine is CCc1nc(C)ccc1OCCCCCCCl.
What is the InChIKey of 3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine?
The InChIKey is LKWDTUSMWYJEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-13-14(9-8-12(2)16-13)17-11-7-5-4-6-10-15/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of 3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine?
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine has a molecular weight of 255.79 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine is sourced from PubChem (CID 103174559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).