3-diazo-4H-pyridine

C5H5N3 — CID 123840381

IUPAC3-diazo-4H-pyridine
SMILES[N-]=[N+]=C1C=NC=CC1
InChIInChI=1S/C5H5N3/c6-8-5-2-1-3-7-4-5/h1,3-4H,2H2
InChIKeyCTGVTMSSDJRUJJ-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.65
Rot. Bonds

About 3-diazo-4H-pyridine

3-diazo-4H-pyridine (PubChem CID 123840381) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 3-diazo-4H-pyridine.

Molecular Properties

Compound Name3-diazo-4H-pyridine
PubChem CID123840381
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name3-diazo-4H-pyridine
SMILES[N-]=[N+]=C1C=NC=CC1
InChIInChI=1S/C5H5N3/c6-8-5-2-1-3-7-4-5/h1,3-4H,2H2
InChIKeyCTGVTMSSDJRUJJ-UHFFFAOYSA-N
XLogP0.65
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazo-4H-pyridine?
The IUPAC name of 3-diazo-4H-pyridine (CID 123840381) is 3-diazo-4H-pyridine.
What is the SMILES notation for 3-diazo-4H-pyridine?
The canonical SMILES for 3-diazo-4H-pyridine is [N-]=[N+]=C1C=NC=CC1.
What is the InChIKey of 3-diazo-4H-pyridine?
The InChIKey is CTGVTMSSDJRUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c6-8-5-2-1-3-7-4-5/h1,3-4H,2H2.
What are the key properties of 3-diazo-4H-pyridine?
3-diazo-4H-pyridine has a molecular weight of 107.12 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-4H-pyridine is sourced from PubChem (CID 123840381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).