3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine

C15H23ClN2 — CID 83220560

IUPAC3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine
SMILESCCC1CCC(C)N1c1nc(C)cc(C)c1CCl
InChIInChI=1S/C15H23ClN2/c1-5-13-7-6-12(4)18(13)15-14(9-16)10(2)8-11(3)17-15/h8,12-13H,5-7,9H2,1-4H3
InChIKeyRYAXFEIIYRPXEJ-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.20
Rot. Bonds3

About 3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine

3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine (PubChem CID 83220560) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine
PubChem CID83220560
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine
SMILESCCC1CCC(C)N1c1nc(C)cc(C)c1CCl
InChIInChI=1S/C15H23ClN2/c1-5-13-7-6-12(4)18(13)15-14(9-16)10(2)8-11(3)17-15/h8,12-13H,5-7,9H2,1-4H3
InChIKeyRYAXFEIIYRPXEJ-UHFFFAOYSA-N
XLogP4.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine?
The IUPAC name of 3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine (CID 83220560) is 3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine?
The canonical SMILES for 3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine is CCC1CCC(C)N1c1nc(C)cc(C)c1CCl.
What is the InChIKey of 3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine?
The InChIKey is RYAXFEIIYRPXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-5-13-7-6-12(4)18(13)15-14(9-16)10(2)8-11(3)17-15/h8,12-13H,5-7,9H2,1-4H3.
What are the key properties of 3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine?
3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine has a molecular weight of 266.82 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine is sourced from PubChem (CID 83220560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).