5-(azidomethyl)furan-2-carbaldehyde

C6H5N3O2 — CID 52915712

IUPAC5-(azidomethyl)furan-2-carbaldehyde
SMILES[N-]=[N+]=NCc1ccc(C=O)o1
InChIInChI=1S/C6H5N3O2/c7-9-8-3-5-1-2-6(4-10)11-5/h1-2,4H,3H2
InChIKeyWIYJKZWJJKNXAI-UHFFFAOYSA-N
MW151.12 g/mol
LogP1.90
Rot. Bonds3

About 5-(azidomethyl)furan-2-carbaldehyde

5-(azidomethyl)furan-2-carbaldehyde (PubChem CID 52915712) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 5-(azidomethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(azidomethyl)furan-2-carbaldehyde
PubChem CID52915712
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name5-(azidomethyl)furan-2-carbaldehyde
SMILES[N-]=[N+]=NCc1ccc(C=O)o1
InChIInChI=1S/C6H5N3O2/c7-9-8-3-5-1-2-6(4-10)11-5/h1-2,4H,3H2
InChIKeyWIYJKZWJJKNXAI-UHFFFAOYSA-N
XLogP1.90
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 51.90
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-(azidomethyl)furan-2-carbaldehyde?
The IUPAC name of 5-(azidomethyl)furan-2-carbaldehyde (CID 52915712) is 5-(azidomethyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(azidomethyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(azidomethyl)furan-2-carbaldehyde is [N-]=[N+]=NCc1ccc(C=O)o1.
What is the InChIKey of 5-(azidomethyl)furan-2-carbaldehyde?
The InChIKey is WIYJKZWJJKNXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c7-9-8-3-5-1-2-6(4-10)11-5/h1-2,4H,3H2.
What are the key properties of 5-(azidomethyl)furan-2-carbaldehyde?
5-(azidomethyl)furan-2-carbaldehyde has a molecular weight of 151.12 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)furan-2-carbaldehyde is sourced from PubChem (CID 52915712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).