2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine

C12H18ClNO2 — CID 79169037

IUPAC2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
SMILESCCOCCCOc1ccc(C)nc1CCl
InChIInChI=1S/C12H18ClNO2/c1-3-15-7-4-8-16-12-6-5-10(2)14-11(12)9-13/h5-6H,3-4,7-9H2,1-2H3
InChIKeyGAFACFUYUSQURF-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.93
Rot. Bonds7

About 2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine

2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine (PubChem CID 79169037) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
PubChem CID79169037
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
SMILESCCOCCCOc1ccc(C)nc1CCl
InChIInChI=1S/C12H18ClNO2/c1-3-15-7-4-8-16-12-6-5-10(2)14-11(12)9-13/h5-6H,3-4,7-9H2,1-2H3
InChIKeyGAFACFUYUSQURF-UHFFFAOYSA-N
XLogP2.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169891
2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
CID 106454021
2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine
CID 79168865
2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106454022
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
CID 79168619
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
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
[3-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156805
2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 103175707

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine?
The IUPAC name of 2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine (CID 79169037) is 2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine?
The canonical SMILES for 2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine is CCOCCCOc1ccc(C)nc1CCl.
What is the InChIKey of 2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine?
The InChIKey is GAFACFUYUSQURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-3-15-7-4-8-16-12-6-5-10(2)14-11(12)9-13/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine?
2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine has a molecular weight of 243.73 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine is sourced from PubChem (CID 79169037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).