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

C15H11N3 — CID 131873934

IUPAC2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine
SMILES[2H]c1nc([2H])c(-c2ccnc(-c3c([2H])nc([2H])c([2H])c3[2H])c2)c([2H])c1[2H]
InChIInChI=1S/C15H11N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-11H/i1D,2D,3D,4D,6D,7D,10D,11D
InChIKeyOILSPHJMIPYURT-HNOSBDTOSA-N
MW241.32 g/mol
LogP3.21
Rot. Bonds2

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

2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine (PubChem CID 131873934) has the molecular formula C15H11N3 and a molecular weight of 241.32 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine.

Molecular Properties

Compound Name2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine
PubChem CID131873934
Molecular FormulaC15H11N3
Molecular Weight241.32 g/mol
Exact Mass241.15
IUPAC Name2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine
SMILES[2H]c1nc([2H])c(-c2ccnc(-c3c([2H])nc([2H])c([2H])c3[2H])c2)c([2H])c1[2H]
InChIInChI=1S/C15H11N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-11H/i1D,2D,3D,4D,6D,7D,10D,11D
InChIKeyOILSPHJMIPYURT-HNOSBDTOSA-N
XLogP3.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine?
The IUPAC name of 2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine (CID 131873934) is 2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine.
What is the SMILES notation for 2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine?
The canonical SMILES for 2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine is [2H]c1nc([2H])c(-c2ccnc(-c3c([2H])nc([2H])c([2H])c3[2H])c2)c([2H])c1[2H].
What is the InChIKey of 2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine?
The InChIKey is OILSPHJMIPYURT-HNOSBDTOSA-N. The full InChI is InChI=1S/C15H11N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-11H/i1D,2D,3D,4D,6D,7D,10D,11D.
What are the key properties of 2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine?
2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine has a molecular weight of 241.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine is sourced from PubChem (CID 131873934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).