2,3,4,5,6-pentadeuteriopyridine

C5H5N — CID 558519

IUPAC2,3,4,5,6-pentadeuteriopyridine
SMILES[2H]c1nc([2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D
InChIKeyJUJWROOIHBZHMG-RALIUCGRSA-N
MW84.13 g/mol
LogP1.08
Rot. Bonds

About 2,3,4,5,6-pentadeuteriopyridine

2,3,4,5,6-pentadeuteriopyridine (PubChem CID 558519) has the molecular formula C5H5N and a molecular weight of 84.13 g/mol. Its IUPAC name is 2,3,4,5,6-pentadeuteriopyridine.

Molecular Properties

Compound Name2,3,4,5,6-pentadeuteriopyridine
PubChem CID558519
Molecular FormulaC5H5N
Molecular Weight84.13 g/mol
Exact Mass84.07
IUPAC Name2,3,4,5,6-pentadeuteriopyridine
SMILES[2H]c1nc([2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D
InChIKeyJUJWROOIHBZHMG-RALIUCGRSA-N
XLogP1.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.13
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentadeuteriopyridine?
The IUPAC name of 2,3,4,5,6-pentadeuteriopyridine (CID 558519) is 2,3,4,5,6-pentadeuteriopyridine.
What is the SMILES notation for 2,3,4,5,6-pentadeuteriopyridine?
The canonical SMILES for 2,3,4,5,6-pentadeuteriopyridine is [2H]c1nc([2H])c([2H])c([2H])c1[2H].
What is the InChIKey of 2,3,4,5,6-pentadeuteriopyridine?
The InChIKey is JUJWROOIHBZHMG-RALIUCGRSA-N. The full InChI is InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D.
What are the key properties of 2,3,4,5,6-pentadeuteriopyridine?
2,3,4,5,6-pentadeuteriopyridine has a molecular weight of 84.13 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentadeuteriopyridine is sourced from PubChem (CID 558519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).