3-deuteriopyridine-2,6-diamine

C5H7N3 — CID 54392354

IUPAC3-deuteriopyridine-2,6-diamine
SMILES[2H]c1ccc(N)nc1N
InChIInChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)/i2D
InChIKeyVHNQIURBCCNWDN-VMNATFBRSA-N
MW110.14 g/mol
LogP0.25
Rot. Bonds

About 3-deuteriopyridine-2,6-diamine

3-deuteriopyridine-2,6-diamine (PubChem CID 54392354) has the molecular formula C5H7N3 and a molecular weight of 110.14 g/mol. Its IUPAC name is 3-deuteriopyridine-2,6-diamine.

Molecular Properties

Compound Name3-deuteriopyridine-2,6-diamine
PubChem CID54392354
Molecular FormulaC5H7N3
Molecular Weight110.14 g/mol
Exact Mass110.07
IUPAC Name3-deuteriopyridine-2,6-diamine
SMILES[2H]c1ccc(N)nc1N
InChIInChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)/i2D
InChIKeyVHNQIURBCCNWDN-VMNATFBRSA-N
XLogP0.25
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-deuteriopyridine-2,6-diamine?
The IUPAC name of 3-deuteriopyridine-2,6-diamine (CID 54392354) is 3-deuteriopyridine-2,6-diamine.
What is the SMILES notation for 3-deuteriopyridine-2,6-diamine?
The canonical SMILES for 3-deuteriopyridine-2,6-diamine is [2H]c1ccc(N)nc1N.
What is the InChIKey of 3-deuteriopyridine-2,6-diamine?
The InChIKey is VHNQIURBCCNWDN-VMNATFBRSA-N. The full InChI is InChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)/i2D.
What are the key properties of 3-deuteriopyridine-2,6-diamine?
3-deuteriopyridine-2,6-diamine has a molecular weight of 110.14 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuteriopyridine-2,6-diamine is sourced from PubChem (CID 54392354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).