2-[[4-(methylamino)phenyl]diazenyl]benzoic acid

C14H13N3O2 — CID 13038165

IUPAC2-[[4-(methylamino)phenyl]diazenyl]benzoic acid
SMILESCNc1ccc(/N=N/c2ccccc2C(=O)O)cc1
InChIInChI=1S/C14H13N3O2/c1-15-10-6-8-11(9-7-10)16-17-13-5-3-2-4-12(13)14(18)19/h2-9,15H,1H3,(H,18,19)/b17-16+
InChIKeyCUPLXKRLBKGXNN-WUKNDPDISA-N
MW255.28 g/mol
LogP3.84
Rot. Bonds4

About 2-[[4-(methylamino)phenyl]diazenyl]benzoic acid

2-[[4-(methylamino)phenyl]diazenyl]benzoic acid (PubChem CID 13038165) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[[4-(methylamino)phenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(methylamino)phenyl]diazenyl]benzoic acid
PubChem CID13038165
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-[[4-(methylamino)phenyl]diazenyl]benzoic acid
SMILESCNc1ccc(/N=N/c2ccccc2C(=O)O)cc1
InChIInChI=1S/C14H13N3O2/c1-15-10-6-8-11(9-7-10)16-17-13-5-3-2-4-12(13)14(18)19/h2-9,15H,1H3,(H,18,19)/b17-16+
InChIKeyCUPLXKRLBKGXNN-WUKNDPDISA-N
XLogP3.84
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-anilinophenyl)diazenyl]benzoic acid
CID 101005663
2-[[4-(diethylamino)phenyl]diazenyl]benzoic acid iodide
CID 20831759
ethane;N-methyl-4-phenyldiazenylaniline
CID 90785372
4-benzylphenol;2-[(4-hydroxyphenyl)diazenyl]benzoic acid;4-phenyldiazenylphenol
CID 159605482
5-[[4-(methylamino)phenyl]diazenyl]benzene-1,3-dicarboxylic acid
CID 21351282
5-(methylamino)-2-(methyldiazenyl)benzoic acid
CID 20589181
2-phenyldiazenylbenzamide
CID 3752866
4-[[4-(methylamino)phenyl]diazenyl]benzenesulfonic acid
CID 54536632
N-methyl-4-(methyldiazenyl)aniline
CID 23569166
CID 153004769
CID 153004769
N-ethyl-2-[(4-hydroxyphenyl)diazenyl]benzamide
CID 173282434
2-amino-1-(2-phenyldiazenylphenyl)ethanone
CID 175689798

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)phenyl]diazenyl]benzoic acid?
The IUPAC name of 2-[[4-(methylamino)phenyl]diazenyl]benzoic acid (CID 13038165) is 2-[[4-(methylamino)phenyl]diazenyl]benzoic acid.
What is the SMILES notation for 2-[[4-(methylamino)phenyl]diazenyl]benzoic acid?
The canonical SMILES for 2-[[4-(methylamino)phenyl]diazenyl]benzoic acid is CNc1ccc(/N=N/c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(methylamino)phenyl]diazenyl]benzoic acid?
The InChIKey is CUPLXKRLBKGXNN-WUKNDPDISA-N. The full InChI is InChI=1S/C14H13N3O2/c1-15-10-6-8-11(9-7-10)16-17-13-5-3-2-4-12(13)14(18)19/h2-9,15H,1H3,(H,18,19)/b17-16+.
What are the key properties of 2-[[4-(methylamino)phenyl]diazenyl]benzoic acid?
2-[[4-(methylamino)phenyl]diazenyl]benzoic acid has a molecular weight of 255.28 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)phenyl]diazenyl]benzoic acid is sourced from PubChem (CID 13038165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).