2-azido-5-methylbenzene-1,4-diol

C7H7N3O2 — CID 71348904

IUPAC2-azido-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(N=[N+]=[N-])cc1O
InChIInChI=1S/C7H7N3O2/c1-4-2-7(12)5(9-10-8)3-6(4)11/h2-3,11-12H,1H3
InChIKeyLIKJNHLOHPPDOU-UHFFFAOYSA-N
MW165.15 g/mol
LogP2.35
Rot. Bonds1

About 2-azido-5-methylbenzene-1,4-diol

2-azido-5-methylbenzene-1,4-diol (PubChem CID 71348904) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-azido-5-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-azido-5-methylbenzene-1,4-diol
PubChem CID71348904
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2-azido-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(N=[N+]=[N-])cc1O
InChIInChI=1S/C7H7N3O2/c1-4-2-7(12)5(9-10-8)3-6(4)11/h2-3,11-12H,1H3
InChIKeyLIKJNHLOHPPDOU-UHFFFAOYSA-N
XLogP2.35
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-5-methylbenzene-1,4-diol 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 2-azido-5-methylbenzene-1,4-diol?
The IUPAC name of 2-azido-5-methylbenzene-1,4-diol (CID 71348904) is 2-azido-5-methylbenzene-1,4-diol.
What is the SMILES notation for 2-azido-5-methylbenzene-1,4-diol?
The canonical SMILES for 2-azido-5-methylbenzene-1,4-diol is Cc1cc(O)c(N=[N+]=[N-])cc1O.
What is the InChIKey of 2-azido-5-methylbenzene-1,4-diol?
The InChIKey is LIKJNHLOHPPDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-4-2-7(12)5(9-10-8)3-6(4)11/h2-3,11-12H,1H3.
What are the key properties of 2-azido-5-methylbenzene-1,4-diol?
2-azido-5-methylbenzene-1,4-diol has a molecular weight of 165.15 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-methylbenzene-1,4-diol is sourced from PubChem (CID 71348904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).