pyridine-3,4-diimine

C5H5N3 — CID 22022782

IUPACpyridine-3,4-diimine
SMILES[H]/N=C1\C=CN=C\C1=N/[H]
InChIInChI=1S/C5H5N3/c6-4-1-2-8-3-5(4)7/h1-3,6-7H/b6-4+,7-5+
InChIKeyOAEZGXIIOIHYON-YDFGWWAZSA-N
MW107.12 g/mol
LogP0.62
Rot. Bonds

About pyridine-3,4-diimine

pyridine-3,4-diimine (PubChem CID 22022782) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is pyridine-3,4-diimine.

Molecular Properties

Compound Namepyridine-3,4-diimine
PubChem CID22022782
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Namepyridine-3,4-diimine
SMILES[H]/N=C1\C=CN=C\C1=N/[H]
InChIInChI=1S/C5H5N3/c6-4-1-2-8-3-5(4)7/h1-3,6-7H/b6-4+,7-5+
InChIKeyOAEZGXIIOIHYON-YDFGWWAZSA-N
XLogP0.62
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridine-3,4-diimine?
The IUPAC name of pyridine-3,4-diimine (CID 22022782) is pyridine-3,4-diimine.
What is the SMILES notation for pyridine-3,4-diimine?
The canonical SMILES for pyridine-3,4-diimine is [H]/N=C1\C=CN=C\C1=N/[H].
What is the InChIKey of pyridine-3,4-diimine?
The InChIKey is OAEZGXIIOIHYON-YDFGWWAZSA-N. The full InChI is InChI=1S/C5H5N3/c6-4-1-2-8-3-5(4)7/h1-3,6-7H/b6-4+,7-5+.
What are the key properties of pyridine-3,4-diimine?
pyridine-3,4-diimine has a molecular weight of 107.12 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3,4-diimine is sourced from PubChem (CID 22022782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).