5-azidofuran-2-carbaldehyde

C5H3N3O2 — CID 12570150

IUPAC5-azidofuran-2-carbaldehyde
SMILES[N-]=[N+]=Nc1ccc(C=O)o1
InChIInChI=1S/C5H3N3O2/c6-8-7-5-2-1-4(3-9)10-5/h1-3H
InChIKeyOMLXHJSKIZLMRV-UHFFFAOYSA-N
MW137.10 g/mol
LogP2.03
Rot. Bonds2

About 5-azidofuran-2-carbaldehyde

5-azidofuran-2-carbaldehyde (PubChem CID 12570150) has the molecular formula C5H3N3O2 and a molecular weight of 137.10 g/mol. Its IUPAC name is 5-azidofuran-2-carbaldehyde.

Molecular Properties

Compound Name5-azidofuran-2-carbaldehyde
PubChem CID12570150
Molecular FormulaC5H3N3O2
Molecular Weight137.10 g/mol
Exact Mass137.02
IUPAC Name5-azidofuran-2-carbaldehyde
SMILES[N-]=[N+]=Nc1ccc(C=O)o1
InChIInChI=1S/C5H3N3O2/c6-8-7-5-2-1-4(3-9)10-5/h1-3H
InChIKeyOMLXHJSKIZLMRV-UHFFFAOYSA-N
XLogP2.03
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-azidofuran-2-carbaldehyde?
The IUPAC name of 5-azidofuran-2-carbaldehyde (CID 12570150) is 5-azidofuran-2-carbaldehyde.
What is the SMILES notation for 5-azidofuran-2-carbaldehyde?
The canonical SMILES for 5-azidofuran-2-carbaldehyde is [N-]=[N+]=Nc1ccc(C=O)o1.
What is the InChIKey of 5-azidofuran-2-carbaldehyde?
The InChIKey is OMLXHJSKIZLMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2/c6-8-7-5-2-1-4(3-9)10-5/h1-3H.
What are the key properties of 5-azidofuran-2-carbaldehyde?
5-azidofuran-2-carbaldehyde has a molecular weight of 137.10 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azidofuran-2-carbaldehyde is sourced from PubChem (CID 12570150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).