5-amino-2-phenyldiazenylbenzoic acid

C13H11N3O2 — CID 23165759

IUPAC5-amino-2-phenyldiazenylbenzoic acid
SMILESNc1ccc(/N=N/c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C13H11N3O2/c14-9-6-7-12(11(8-9)13(17)18)16-15-10-4-2-1-3-5-10/h1-8H,14H2,(H,17,18)/b16-15+
InChIKeyQIIHUYCSGVFGBM-FOCLMDBBSA-N
MW241.25 g/mol
LogP3.38
Rot. Bonds3

About 5-amino-2-phenyldiazenylbenzoic acid

5-amino-2-phenyldiazenylbenzoic acid (PubChem CID 23165759) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-amino-2-phenyldiazenylbenzoic acid.

Molecular Properties

Compound Name5-amino-2-phenyldiazenylbenzoic acid
PubChem CID23165759
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name5-amino-2-phenyldiazenylbenzoic acid
SMILESNc1ccc(/N=N/c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C13H11N3O2/c14-9-6-7-12(11(8-9)13(17)18)16-15-10-4-2-1-3-5-10/h1-8H,14H2,(H,17,18)/b16-15+
InChIKeyQIIHUYCSGVFGBM-FOCLMDBBSA-N
XLogP3.38
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyldiazenylbenzamide
CID 3752866
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
diphenyldiazene;urea
CID 175083568
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
2-amino-1-(2-phenyldiazenylphenyl)ethanone
CID 175689798
4-amino-2-benzoylbenzoic acid
CID 21494601
2-carboxyphenolate;3-phenyldiazenylpyridin-1-ium-2,6-diamine;hydrate
CID 139197220
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
2-[(4-anilinophenyl)diazenyl]benzoic acid
CID 101005663
4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid
CID 139851917
3-[(2,4-diaminophenyl)diazenyl]benzenesulfonic acid
CID 20764494
2-[[4-(methylamino)phenyl]diazenyl]benzoic acid
CID 13038165

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-phenyldiazenylbenzoic acid?
The IUPAC name of 5-amino-2-phenyldiazenylbenzoic acid (CID 23165759) is 5-amino-2-phenyldiazenylbenzoic acid.
What is the SMILES notation for 5-amino-2-phenyldiazenylbenzoic acid?
The canonical SMILES for 5-amino-2-phenyldiazenylbenzoic acid is Nc1ccc(/N=N/c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-phenyldiazenylbenzoic acid?
The InChIKey is QIIHUYCSGVFGBM-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-9-6-7-12(11(8-9)13(17)18)16-15-10-4-2-1-3-5-10/h1-8H,14H2,(H,17,18)/b16-15+.
What are the key properties of 5-amino-2-phenyldiazenylbenzoic acid?
5-amino-2-phenyldiazenylbenzoic acid has a molecular weight of 241.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-phenyldiazenylbenzoic acid is sourced from PubChem (CID 23165759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).