5-azidopyridine-3-carboxylic acid

C6H4N4O2 — CID 91647450

IUPAC5-azidopyridine-3-carboxylic acid
SMILES[N-]=[N+]=Nc1cncc(C(=O)O)c1
InChIInChI=1S/C6H4N4O2/c7-10-9-5-1-4(6(11)12)2-8-3-5/h1-3H,(H,11,12)
InChIKeyXBKPBOMXMIAGNW-UHFFFAOYSA-N
MW164.12 g/mol
LogP1.72
Rot. Bonds2

About 5-azidopyridine-3-carboxylic acid

5-azidopyridine-3-carboxylic acid (PubChem CID 91647450) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 5-azidopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-azidopyridine-3-carboxylic acid
PubChem CID91647450
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name5-azidopyridine-3-carboxylic acid
SMILES[N-]=[N+]=Nc1cncc(C(=O)O)c1
InChIInChI=1S/C6H4N4O2/c7-10-9-5-1-4(6(11)12)2-8-3-5/h1-3H,(H,11,12)
InChIKeyXBKPBOMXMIAGNW-UHFFFAOYSA-N
XLogP1.72
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 51.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-azidopyridine-3-carboxylic acid?
The IUPAC name of 5-azidopyridine-3-carboxylic acid (CID 91647450) is 5-azidopyridine-3-carboxylic acid.
What is the SMILES notation for 5-azidopyridine-3-carboxylic acid?
The canonical SMILES for 5-azidopyridine-3-carboxylic acid is [N-]=[N+]=Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-azidopyridine-3-carboxylic acid?
The InChIKey is XBKPBOMXMIAGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c7-10-9-5-1-4(6(11)12)2-8-3-5/h1-3H,(H,11,12).
What are the key properties of 5-azidopyridine-3-carboxylic acid?
5-azidopyridine-3-carboxylic acid has a molecular weight of 164.12 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azidopyridine-3-carboxylic acid is sourced from PubChem (CID 91647450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).