3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine

C13H10N2O — CID 10910934

IUPAC3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine
SMILES[3H]C([3H])([3H])Oc1cncc(C#Cc2ccccn2)c1
InChIInChI=1S/C13H10N2O/c1-16-13-8-11(9-14-10-13)5-6-12-4-2-3-7-15-12/h2-4,7-10H,1H3/i1T3
InChIKeyVRTFKUFTEWQHDD-RLXJOQACSA-N
MW216.26 g/mol
LogP1.88
Rot. Bonds2

About 3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine

3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine (PubChem CID 10910934) has the molecular formula C13H10N2O and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine
PubChem CID10910934
Molecular FormulaC13H10N2O
Molecular Weight216.26 g/mol
Exact Mass216.10
IUPAC Name3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine
SMILES[3H]C([3H])([3H])Oc1cncc(C#Cc2ccccn2)c1
InChIInChI=1S/C13H10N2O/c1-16-13-8-11(9-14-10-13)5-6-12-4-2-3-7-15-12/h2-4,7-10H,1H3/i1T3
InChIKeyVRTFKUFTEWQHDD-RLXJOQACSA-N
XLogP1.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine?
The IUPAC name of 3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine (CID 10910934) is 3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine.
What is the SMILES notation for 3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine?
The canonical SMILES for 3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine is [3H]C([3H])([3H])Oc1cncc(C#Cc2ccccn2)c1.
What is the InChIKey of 3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine?
The InChIKey is VRTFKUFTEWQHDD-RLXJOQACSA-N. The full InChI is InChI=1S/C13H10N2O/c1-16-13-8-11(9-14-10-13)5-6-12-4-2-3-7-15-12/h2-4,7-10H,1H3/i1T3.
What are the key properties of 3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine?
3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine has a molecular weight of 216.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine is sourced from PubChem (CID 10910934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).