4-azido-2-hydroxybenzaldehyde

C7H5N3O2 — CID 14543957

IUPAC4-azido-2-hydroxybenzaldehyde
SMILES[N-]=[N+]=Nc1ccc(C=O)c(O)c1
InChIInChI=1S/C7H5N3O2/c8-10-9-6-2-1-5(4-11)7(12)3-6/h1-4,12H
InChIKeyXXPAXJMAEVFUOP-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.15
Rot. Bonds2

About 4-azido-2-hydroxybenzaldehyde

4-azido-2-hydroxybenzaldehyde (PubChem CID 14543957) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-azido-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-azido-2-hydroxybenzaldehyde
PubChem CID14543957
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name4-azido-2-hydroxybenzaldehyde
SMILES[N-]=[N+]=Nc1ccc(C=O)c(O)c1
InChIInChI=1S/C7H5N3O2/c8-10-9-6-2-1-5(4-11)7(12)3-6/h1-4,12H
InChIKeyXXPAXJMAEVFUOP-UHFFFAOYSA-N
XLogP2.15
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
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'}

Analyze 4-azido-2-hydroxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-azido-2-hydroxybenzaldehyde?
The IUPAC name of 4-azido-2-hydroxybenzaldehyde (CID 14543957) is 4-azido-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-azido-2-hydroxybenzaldehyde?
The canonical SMILES for 4-azido-2-hydroxybenzaldehyde is [N-]=[N+]=Nc1ccc(C=O)c(O)c1.
What is the InChIKey of 4-azido-2-hydroxybenzaldehyde?
The InChIKey is XXPAXJMAEVFUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c8-10-9-6-2-1-5(4-11)7(12)3-6/h1-4,12H.
What are the key properties of 4-azido-2-hydroxybenzaldehyde?
4-azido-2-hydroxybenzaldehyde has a molecular weight of 163.14 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2-hydroxybenzaldehyde is sourced from PubChem (CID 14543957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).