2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine

C12H18ClNO2 — CID 106454021

IUPAC2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
SMILESCCCOCCOc1ccc(C)nc1CCl
InChIInChI=1S/C12H18ClNO2/c1-3-6-15-7-8-16-12-5-4-10(2)14-11(12)9-13/h4-5H,3,6-9H2,1-2H3
InChIKeyMLFSATUOTVWCNW-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.93
Rot. Bonds7

About 2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine

2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine (PubChem CID 106454021) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
PubChem CID106454021
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
SMILESCCCOCCOc1ccc(C)nc1CCl
InChIInChI=1S/C12H18ClNO2/c1-3-6-15-7-8-16-12-5-4-10(2)14-11(12)9-13/h4-5H,3,6-9H2,1-2H3
InChIKeyMLFSATUOTVWCNW-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-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106454022
2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
CID 79169037
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
CID 79168619
2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride
CID 103176066
2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine
CID 79168865
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine
CID 103174565
N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79158487
1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 103175707
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
CID 79169539

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine (CID 106454021) is 2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine is CCCOCCOc1ccc(C)nc1CCl.
What is the InChIKey of 2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine?
The InChIKey is MLFSATUOTVWCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-3-6-15-7-8-16-12-5-4-10(2)14-11(12)9-13/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine?
2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine 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)-6-methyl-3-(2-propoxyethoxy)pyridine is sourced from PubChem (CID 106454021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).