1,2,2,3,3,4,4-heptadeuteriopyridine

C5H9N — CID 154029072

IUPAC1,2,2,3,3,4,4-heptadeuteriopyridine
SMILES[2H]N1C=CC([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C5H9N/c1-2-4-6-5-3-1/h2,4,6H,1,3,5H2/i1D2,3D2,5D2/hD
InChIKeyVSWICNJIUPRZIK-IGOURILKSA-N
MW90.18 g/mol
LogP0.88
Rot. Bonds

About 1,2,2,3,3,4,4-heptadeuteriopyridine

1,2,2,3,3,4,4-heptadeuteriopyridine (PubChem CID 154029072) has the molecular formula C5H9N and a molecular weight of 90.18 g/mol. Its IUPAC name is 1,2,2,3,3,4,4-heptadeuteriopyridine.

Molecular Properties

Compound Name1,2,2,3,3,4,4-heptadeuteriopyridine
PubChem CID154029072
Molecular FormulaC5H9N
Molecular Weight90.18 g/mol
Exact Mass90.12
IUPAC Name1,2,2,3,3,4,4-heptadeuteriopyridine
SMILES[2H]N1C=CC([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C5H9N/c1-2-4-6-5-3-1/h2,4,6H,1,3,5H2/i1D2,3D2,5D2/hD
InChIKeyVSWICNJIUPRZIK-IGOURILKSA-N
XLogP0.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4-heptadeuteriopyridine?
The IUPAC name of 1,2,2,3,3,4,4-heptadeuteriopyridine (CID 154029072) is 1,2,2,3,3,4,4-heptadeuteriopyridine.
What is the SMILES notation for 1,2,2,3,3,4,4-heptadeuteriopyridine?
The canonical SMILES for 1,2,2,3,3,4,4-heptadeuteriopyridine is [2H]N1C=CC([2H])([2H])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 1,2,2,3,3,4,4-heptadeuteriopyridine?
The InChIKey is VSWICNJIUPRZIK-IGOURILKSA-N. The full InChI is InChI=1S/C5H9N/c1-2-4-6-5-3-1/h2,4,6H,1,3,5H2/i1D2,3D2,5D2/hD.
What are the key properties of 1,2,2,3,3,4,4-heptadeuteriopyridine?
1,2,2,3,3,4,4-heptadeuteriopyridine has a molecular weight of 90.18 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4-heptadeuteriopyridine is sourced from PubChem (CID 154029072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).