4-ethynyl-2,6-dimethylpyridine

C9H9N — CID 13081748

IUPAC4-ethynyl-2,6-dimethylpyridine
SMILESC#Cc1cc(C)nc(C)c1
InChIInChI=1S/C9H9N/c1-4-9-5-7(2)10-8(3)6-9/h1,5-6H,2-3H3
InChIKeyGADAGOMYXYMHKZ-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.68
Rot. Bonds

About 4-ethynyl-2,6-dimethylpyridine

4-ethynyl-2,6-dimethylpyridine (PubChem CID 13081748) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-ethynyl-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-ethynyl-2,6-dimethylpyridine
PubChem CID13081748
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name4-ethynyl-2,6-dimethylpyridine
SMILESC#Cc1cc(C)nc(C)c1
InChIInChI=1S/C9H9N/c1-4-9-5-7(2)10-8(3)6-9/h1,5-6H,2-3H3
InChIKeyGADAGOMYXYMHKZ-UHFFFAOYSA-N
XLogP1.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2,6-dimethylpyridine?
The IUPAC name of 4-ethynyl-2,6-dimethylpyridine (CID 13081748) is 4-ethynyl-2,6-dimethylpyridine.
What is the SMILES notation for 4-ethynyl-2,6-dimethylpyridine?
The canonical SMILES for 4-ethynyl-2,6-dimethylpyridine is C#Cc1cc(C)nc(C)c1.
What is the InChIKey of 4-ethynyl-2,6-dimethylpyridine?
The InChIKey is GADAGOMYXYMHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-4-9-5-7(2)10-8(3)6-9/h1,5-6H,2-3H3.
What are the key properties of 4-ethynyl-2,6-dimethylpyridine?
4-ethynyl-2,6-dimethylpyridine has a molecular weight of 131.18 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2,6-dimethylpyridine is sourced from PubChem (CID 13081748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).