5-(2-hydroxyanilino)benzene-1,2,3-triol

C12H11NO4 — CID 171920071

IUPAC5-(2-hydroxyanilino)benzene-1,2,3-triol
SMILESOc1ccccc1Nc1cc(O)c(O)c(O)c1
InChIInChI=1S/C12H11NO4/c14-9-4-2-1-3-8(9)13-7-5-10(15)12(17)11(16)6-7/h1-6,13-17H
InChIKeyUAMPAFXECAGTMX-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.25
Rot. Bonds2

About 5-(2-hydroxyanilino)benzene-1,2,3-triol

5-(2-hydroxyanilino)benzene-1,2,3-triol (PubChem CID 171920071) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-(2-hydroxyanilino)benzene-1,2,3-triol.

Molecular Properties

Compound Name5-(2-hydroxyanilino)benzene-1,2,3-triol
PubChem CID171920071
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name5-(2-hydroxyanilino)benzene-1,2,3-triol
SMILESOc1ccccc1Nc1cc(O)c(O)c(O)c1
InChIInChI=1S/C12H11NO4/c14-9-4-2-1-3-8(9)13-7-5-10(15)12(17)11(16)6-7/h1-6,13-17H
InChIKeyUAMPAFXECAGTMX-UHFFFAOYSA-N
XLogP2.25
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-(2-hydroxyanilino)benzene-1,2,3-triol 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 5-(2-hydroxyanilino)benzene-1,2,3-triol?
The IUPAC name of 5-(2-hydroxyanilino)benzene-1,2,3-triol (CID 171920071) is 5-(2-hydroxyanilino)benzene-1,2,3-triol.
What is the SMILES notation for 5-(2-hydroxyanilino)benzene-1,2,3-triol?
The canonical SMILES for 5-(2-hydroxyanilino)benzene-1,2,3-triol is Oc1ccccc1Nc1cc(O)c(O)c(O)c1.
What is the InChIKey of 5-(2-hydroxyanilino)benzene-1,2,3-triol?
The InChIKey is UAMPAFXECAGTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-9-4-2-1-3-8(9)13-7-5-10(15)12(17)11(16)6-7/h1-6,13-17H.
What are the key properties of 5-(2-hydroxyanilino)benzene-1,2,3-triol?
5-(2-hydroxyanilino)benzene-1,2,3-triol has a molecular weight of 233.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyanilino)benzene-1,2,3-triol is sourced from PubChem (CID 171920071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).