2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine

C10H8N2 — CID 11378683

IUPAC2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine
SMILES[2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKeyROFVEXUMMXZLPA-PGRXLJNUSA-N
MW164.24 g/mol
LogP2.14
Rot. Bonds1

About 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine

2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine (PubChem CID 11378683) has the molecular formula C10H8N2 and a molecular weight of 164.24 g/mol. Its IUPAC name is 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine
PubChem CID11378683
Molecular FormulaC10H8N2
Molecular Weight164.24 g/mol
Exact Mass164.12
IUPAC Name2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine
SMILES[2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKeyROFVEXUMMXZLPA-PGRXLJNUSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine?
The IUPAC name of 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine (CID 11378683) is 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine.
What is the SMILES notation for 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine?
The canonical SMILES for 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine is [2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].
What is the InChIKey of 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine?
The InChIKey is ROFVEXUMMXZLPA-PGRXLJNUSA-N. The full InChI is InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D.
What are the key properties of 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine?
2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine has a molecular weight of 164.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine is sourced from PubChem (CID 11378683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).