4-azidophenol

C6H5N3O — CID 11622340

IUPAC4-azidophenol
SMILES[N-]=[N+]=Nc1ccc(O)cc1
InChIInChI=1S/C6H5N3O/c7-9-8-5-1-3-6(10)4-2-5/h1-4,10H
InChIKeyABSZNIJDTSIVHN-UHFFFAOYSA-N
MW135.13 g/mol
LogP2.33
Rot. Bonds1

About 4-azidophenol

4-azidophenol (PubChem CID 11622340) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 4-azidophenol.

Molecular Properties

Compound Name4-azidophenol
PubChem CID11622340
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name4-azidophenol
SMILES[N-]=[N+]=Nc1ccc(O)cc1
InChIInChI=1S/C6H5N3O/c7-9-8-5-1-3-6(10)4-2-5/h1-4,10H
InChIKeyABSZNIJDTSIVHN-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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Related Compounds

4-Nitrophenol
CID 980
3-Aminophenol
CID 11568
4-Aminophenol
CID 403
2-Aminophenol
CID 5801
4-Hydroxyazobenzene
CID 15529
4-Nitrosophenol
CID 7729
4-Aminophenol hydrochloride
CID 5828
4-(Dimethylamino)phenol
CID 22174
2,4-Diaminophenol
CID 7266
2,2'-Azobisphenol
CID 74902
4-Amino-4'-hydroxyazobenzene
CID 7640
Phenol, 4-isothiocyanato-
CID 102208

Frequently Asked Questions

What is the IUPAC name of 4-azidophenol?
The IUPAC name of 4-azidophenol (CID 11622340) is 4-azidophenol.
What is the SMILES notation for 4-azidophenol?
The canonical SMILES for 4-azidophenol is [N-]=[N+]=Nc1ccc(O)cc1.
What is the InChIKey of 4-azidophenol?
The InChIKey is ABSZNIJDTSIVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-9-8-5-1-3-6(10)4-2-5/h1-4,10H.
What are the key properties of 4-azidophenol?
4-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 4-azidophenol is sourced from PubChem (CID 11622340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).