2-ethynyl-3,4,6-trimethylpyridine

C10H11N — CID 122593451

IUPAC2-ethynyl-3,4,6-trimethylpyridine
SMILESC#Cc1nc(C)cc(C)c1C
InChIInChI=1S/C10H11N/c1-5-10-9(4)7(2)6-8(3)11-10/h1,6H,2-4H3
InChIKeyPARNHQNBKYYHPG-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.99
Rot. Bonds

About 2-ethynyl-3,4,6-trimethylpyridine

2-ethynyl-3,4,6-trimethylpyridine (PubChem CID 122593451) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-ethynyl-3,4,6-trimethylpyridine.

Molecular Properties

Compound Name2-ethynyl-3,4,6-trimethylpyridine
PubChem CID122593451
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-ethynyl-3,4,6-trimethylpyridine
SMILESC#Cc1nc(C)cc(C)c1C
InChIInChI=1S/C10H11N/c1-5-10-9(4)7(2)6-8(3)11-10/h1,6H,2-4H3
InChIKeyPARNHQNBKYYHPG-UHFFFAOYSA-N
XLogP1.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.99
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 2-ethynyl-3,4,6-trimethylpyridine?
The IUPAC name of 2-ethynyl-3,4,6-trimethylpyridine (CID 122593451) is 2-ethynyl-3,4,6-trimethylpyridine.
What is the SMILES notation for 2-ethynyl-3,4,6-trimethylpyridine?
The canonical SMILES for 2-ethynyl-3,4,6-trimethylpyridine is C#Cc1nc(C)cc(C)c1C.
What is the InChIKey of 2-ethynyl-3,4,6-trimethylpyridine?
The InChIKey is PARNHQNBKYYHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-5-10-9(4)7(2)6-8(3)11-10/h1,6H,2-4H3.
What are the key properties of 2-ethynyl-3,4,6-trimethylpyridine?
2-ethynyl-3,4,6-trimethylpyridine has a molecular weight of 145.20 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-3,4,6-trimethylpyridine is sourced from PubChem (CID 122593451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).