2,6-dimethylpyridine;ethane

C9H15N — CID 54453947

IUPAC2,6-dimethylpyridine;ethane
SMILESCC.Cc1cccc(C)n1
InChIInChI=1S/C7H9N.C2H6/c1-6-4-3-5-7(2)8-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyWWWDSVIWTXWPFY-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.72
Rot. Bonds

About 2,6-dimethylpyridine;ethane

2,6-dimethylpyridine;ethane (PubChem CID 54453947) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,6-dimethylpyridine;ethane.

Molecular Properties

Compound Name2,6-dimethylpyridine;ethane
PubChem CID54453947
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,6-dimethylpyridine;ethane
SMILESCC.Cc1cccc(C)n1
InChIInChI=1S/C7H9N.C2H6/c1-6-4-3-5-7(2)8-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyWWWDSVIWTXWPFY-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine;ethane?
The IUPAC name of 2,6-dimethylpyridine;ethane (CID 54453947) is 2,6-dimethylpyridine;ethane.
What is the SMILES notation for 2,6-dimethylpyridine;ethane?
The canonical SMILES for 2,6-dimethylpyridine;ethane is CC.Cc1cccc(C)n1.
What is the InChIKey of 2,6-dimethylpyridine;ethane?
The InChIKey is WWWDSVIWTXWPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H6/c1-6-4-3-5-7(2)8-6;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 2,6-dimethylpyridine;ethane?
2,6-dimethylpyridine;ethane has a molecular weight of 137.23 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyridine;ethane is sourced from PubChem (CID 54453947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).