3-azidophenol

C6H5N3O — CID 11367013

IUPAC3-azidophenol
SMILES[N-]=[N+]=Nc1cccc(O)c1
InChIInChI=1S/C6H5N3O/c7-9-8-5-2-1-3-6(10)4-5/h1-4,10H
InChIKeyOMXOPNUFEVXGPU-UHFFFAOYSA-N
MW135.13 g/mol
LogP2.33
Rot. Bonds1

About 3-azidophenol

3-azidophenol (PubChem CID 11367013) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 3-azidophenol.

Molecular Properties

Compound Name3-azidophenol
PubChem CID11367013
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name3-azidophenol
SMILES[N-]=[N+]=Nc1cccc(O)c1
InChIInChI=1S/C6H5N3O/c7-9-8-5-2-1-3-6(10)4-5/h1-4,10H
InChIKeyOMXOPNUFEVXGPU-UHFFFAOYSA-N
XLogP2.33
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-azidophenol?
The IUPAC name of 3-azidophenol (CID 11367013) is 3-azidophenol.
What is the SMILES notation for 3-azidophenol?
The canonical SMILES for 3-azidophenol is [N-]=[N+]=Nc1cccc(O)c1.
What is the InChIKey of 3-azidophenol?
The InChIKey is OMXOPNUFEVXGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-9-8-5-2-1-3-6(10)4-5/h1-4,10H.
What are the key properties of 3-azidophenol?
3-azidophenol has a molecular weight of 135.13 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidophenol is sourced from PubChem (CID 11367013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).