3-(diazenylmethyl)-4-hydroxybenzoic acid

C8H8N2O3 — CID 123518524

IUPAC3-(diazenylmethyl)-4-hydroxybenzoic acid
SMILES[H]/N=N/Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C8H8N2O3/c9-10-4-6-3-5(8(12)13)1-2-7(6)11/h1-3,9,11H,4H2,(H,12,13)/b10-9+
InChIKeyOWTHRIPYCIJUGA-MDZDMXLPSA-N
MW180.16 g/mol
LogP1.62
Rot. Bonds3

About 3-(diazenylmethyl)-4-hydroxybenzoic acid

3-(diazenylmethyl)-4-hydroxybenzoic acid (PubChem CID 123518524) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 3-(diazenylmethyl)-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(diazenylmethyl)-4-hydroxybenzoic acid
PubChem CID123518524
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name3-(diazenylmethyl)-4-hydroxybenzoic acid
SMILES[H]/N=N/Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C8H8N2O3/c9-10-4-6-3-5(8(12)13)1-2-7(6)11/h1-3,9,11H,4H2,(H,12,13)/b10-9+
InChIKeyOWTHRIPYCIJUGA-MDZDMXLPSA-N
XLogP1.62
TPSA93.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diazenylmethyl)-4-hydroxybenzoic acid?
The IUPAC name of 3-(diazenylmethyl)-4-hydroxybenzoic acid (CID 123518524) is 3-(diazenylmethyl)-4-hydroxybenzoic acid.
What is the SMILES notation for 3-(diazenylmethyl)-4-hydroxybenzoic acid?
The canonical SMILES for 3-(diazenylmethyl)-4-hydroxybenzoic acid is [H]/N=N/Cc1cc(C(=O)O)ccc1O.
What is the InChIKey of 3-(diazenylmethyl)-4-hydroxybenzoic acid?
The InChIKey is OWTHRIPYCIJUGA-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-10-4-6-3-5(8(12)13)1-2-7(6)11/h1-3,9,11H,4H2,(H,12,13)/b10-9+.
What are the key properties of 3-(diazenylmethyl)-4-hydroxybenzoic acid?
3-(diazenylmethyl)-4-hydroxybenzoic acid has a molecular weight of 180.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diazenylmethyl)-4-hydroxybenzoic acid is sourced from PubChem (CID 123518524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).