5-hydroxypyridine-3-carbonyl azide

C6H4N4O2 — CID 3788265

IUPAC5-hydroxypyridine-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cncc(O)c1
InChIInChI=1S/C6H4N4O2/c7-10-9-6(12)4-1-5(11)3-8-2-4/h1-3,11H
InChIKeyMYYMQXJRABNCIG-UHFFFAOYSA-N
MW164.12 g/mol
LogP1.24
Rot. Bonds1

About 5-hydroxypyridine-3-carbonyl azide

5-hydroxypyridine-3-carbonyl azide (PubChem CID 3788265) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 5-hydroxypyridine-3-carbonyl azide.

Molecular Properties

Compound Name5-hydroxypyridine-3-carbonyl azide
PubChem CID3788265
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name5-hydroxypyridine-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cncc(O)c1
InChIInChI=1S/C6H4N4O2/c7-10-9-6(12)4-1-5(11)3-8-2-4/h1-3,11H
InChIKeyMYYMQXJRABNCIG-UHFFFAOYSA-N
XLogP1.24
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroxypyridine-3-carbonyl azide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypyridine-3-carbonyl azide?
The IUPAC name of 5-hydroxypyridine-3-carbonyl azide (CID 3788265) is 5-hydroxypyridine-3-carbonyl azide.
What is the SMILES notation for 5-hydroxypyridine-3-carbonyl azide?
The canonical SMILES for 5-hydroxypyridine-3-carbonyl azide is [N-]=[N+]=NC(=O)c1cncc(O)c1.
What is the InChIKey of 5-hydroxypyridine-3-carbonyl azide?
The InChIKey is MYYMQXJRABNCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c7-10-9-6(12)4-1-5(11)3-8-2-4/h1-3,11H.
What are the key properties of 5-hydroxypyridine-3-carbonyl azide?
5-hydroxypyridine-3-carbonyl azide has a molecular weight of 164.12 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypyridine-3-carbonyl azide is sourced from PubChem (CID 3788265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).