3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine

C14H22ClNO — CID 103174565

IUPAC3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1OCCC(C)CCCl
InChIInChI=1S/C14H22ClNO/c1-4-13-14(6-5-12(3)16-13)17-10-8-11(2)7-9-15/h5-6,11H,4,7-10H2,1-3H3
InChIKeyYXKUKFZUMAXGHW-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.99
Rot. Bonds7

About 3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine

3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine (PubChem CID 103174565) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine.

Molecular Properties

Compound Name3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine
PubChem CID103174565
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1OCCC(C)CCCl
InChIInChI=1S/C14H22ClNO/c1-4-13-14(6-5-12(3)16-13)17-10-8-11(2)7-9-15/h5-6,11H,4,7-10H2,1-3H3
InChIKeyYXKUKFZUMAXGHW-UHFFFAOYSA-N
XLogP3.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.99
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

3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
CID 106454021
1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene
CID 107664504
2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
CID 99831600
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106454022
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
CID 79169037

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine?
The IUPAC name of 3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine (CID 103174565) is 3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine.
What is the SMILES notation for 3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine?
The canonical SMILES for 3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine is CCc1nc(C)ccc1OCCC(C)CCCl.
What is the InChIKey of 3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine?
The InChIKey is YXKUKFZUMAXGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-13-14(6-5-12(3)16-13)17-10-8-11(2)7-9-15/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine?
3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine has a molecular weight of 255.79 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine is sourced from PubChem (CID 103174565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).