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

C11H9N — CID 59070802

IUPAC2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine
SMILES[2H]c1cc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H/i1D,2D,3D,4D,5D,6D,8D,9D
InChIKeyVQGHOUODWALEFC-OAIDQEKXSA-N
MW163.25 g/mol
LogP2.75
Rot. Bonds1

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

2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine (PubChem CID 59070802) has the molecular formula C11H9N and a molecular weight of 163.25 g/mol. Its IUPAC name is 2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine.

Molecular Properties

Compound Name2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine
PubChem CID59070802
Molecular FormulaC11H9N
Molecular Weight163.25 g/mol
Exact Mass163.12
IUPAC Name2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine
SMILES[2H]c1cc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H/i1D,2D,3D,4D,5D,6D,8D,9D
InChIKeyVQGHOUODWALEFC-OAIDQEKXSA-N
XLogP2.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriophenyl)pyridine
CID 140711713
2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine
CID 154590304
3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline
CID 140711681
2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine
CID 166503070
tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane
CID 164717588
2,3,5-trideuterio-6-(2,3,4,5-tetradeuteriophenyl)-4-[2,4,5-trideuterio-6-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]pyridine
CID 166503135
dimethyl-phenyl-[6-(2,3,4,5-tetradeuteriophenyl)-3-pyridinyl]silane
CID 140737904
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 87305393
2-[4-anthracen-9-yl-3,5-dideuterio-6-(3,4,5-trideuterio-2-pyridinyl)-2-pyridinyl]-3,4,5,6-tetradeuteriopyridine
CID 172553681
4-(2,3,4,5,6-pentadeuteriophenyl)triazine
CID 175811041
[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 171380508
2,3,4,6-tetradeuterio-5-[2-(2,4,5,6-tetradeuterio-3-pyridinyl)-4-pyridinyl]pyridine
CID 131873934

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine?
The IUPAC name of 2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine (CID 59070802) is 2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine.
What is the SMILES notation for 2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine?
The canonical SMILES for 2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine is [2H]c1cc(-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-(2,3,4,5-tetradeuteriophenyl)pyridine?
The InChIKey is VQGHOUODWALEFC-OAIDQEKXSA-N. The full InChI is InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H/i1D,2D,3D,4D,5D,6D,8D,9D.
What are the key properties of 2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine?
2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine has a molecular weight of 163.25 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine is sourced from PubChem (CID 59070802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).