N,1,2,3,5,6-hexadeuteriopyridin-4-imine

C5H6N2 — CID 131667567

IUPACN,1,2,3,5,6-hexadeuteriopyridin-4-imine
SMILES[2H]N=c1c([2H])c([2H])n([2H])c([2H])c1[2H]
InChIInChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)/i1D,2D,3D,4D/hD2
InChIKeyNUKYPUAOHBNCPY-UDDMDDBKSA-N
MW100.15 g/mol
LogP0.49
Rot. Bonds

About N,1,2,3,5,6-hexadeuteriopyridin-4-imine

N,1,2,3,5,6-hexadeuteriopyridin-4-imine (PubChem CID 131667567) has the molecular formula C5H6N2 and a molecular weight of 100.15 g/mol. Its IUPAC name is N,1,2,3,5,6-hexadeuteriopyridin-4-imine.

Molecular Properties

Compound NameN,1,2,3,5,6-hexadeuteriopyridin-4-imine
PubChem CID131667567
Molecular FormulaC5H6N2
Molecular Weight100.15 g/mol
Exact Mass100.09
IUPAC NameN,1,2,3,5,6-hexadeuteriopyridin-4-imine
SMILES[2H]N=c1c([2H])c([2H])n([2H])c([2H])c1[2H]
InChIInChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)/i1D,2D,3D,4D/hD2
InChIKeyNUKYPUAOHBNCPY-UDDMDDBKSA-N
XLogP0.49
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.15
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,1,2,3,5,6-hexadeuteriopyridin-4-imine?
The IUPAC name of N,1,2,3,5,6-hexadeuteriopyridin-4-imine (CID 131667567) is N,1,2,3,5,6-hexadeuteriopyridin-4-imine.
What is the SMILES notation for N,1,2,3,5,6-hexadeuteriopyridin-4-imine?
The canonical SMILES for N,1,2,3,5,6-hexadeuteriopyridin-4-imine is [2H]N=c1c([2H])c([2H])n([2H])c([2H])c1[2H].
What is the InChIKey of N,1,2,3,5,6-hexadeuteriopyridin-4-imine?
The InChIKey is NUKYPUAOHBNCPY-UDDMDDBKSA-N. The full InChI is InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)/i1D,2D,3D,4D/hD2.
What are the key properties of N,1,2,3,5,6-hexadeuteriopyridin-4-imine?
N,1,2,3,5,6-hexadeuteriopyridin-4-imine has a molecular weight of 100.15 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2,3,5,6-hexadeuteriopyridin-4-imine is sourced from PubChem (CID 131667567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).