3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid

C13H10N2O4 — CID 136641813

IUPAC3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1cccc(O)c1/N=N/c1ccccc1O
InChIInChI=1S/C13H10N2O4/c16-10-6-2-1-5-9(10)14-15-12-8(13(18)19)4-3-7-11(12)17/h1-7,16-17H,(H,18,19)/b15-14+
InChIKeyDLMAYRJUVYSJDF-CCEZHUSRSA-N
MW258.23 g/mol
LogP3.21
Rot. Bonds3

About 3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid

3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid (PubChem CID 136641813) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid
PubChem CID136641813
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1cccc(O)c1/N=N/c1ccccc1O
InChIInChI=1S/C13H10N2O4/c16-10-6-2-1-5-9(10)14-15-12-8(13(18)19)4-3-7-11(12)17/h1-7,16-17H,(H,18,19)/b15-14+
InChIKeyDLMAYRJUVYSJDF-CCEZHUSRSA-N
XLogP3.21
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid?
The IUPAC name of 3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid (CID 136641813) is 3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid is O=C(O)c1cccc(O)c1/N=N/c1ccccc1O.
What is the InChIKey of 3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid?
The InChIKey is DLMAYRJUVYSJDF-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-10-6-2-1-5-9(10)14-15-12-8(13(18)19)4-3-7-11(12)17/h1-7,16-17H,(H,18,19)/b15-14+.
What are the key properties of 3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid?
3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid has a molecular weight of 258.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid is sourced from PubChem (CID 136641813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).