3-phenyldiazenylbenzoic acid

C13H10N2O2 — CID 555783

IUPAC3-phenyldiazenylbenzoic acid
SMILESO=C(O)c1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C13H10N2O2/c16-13(17)10-5-4-8-12(9-10)15-14-11-6-2-1-3-7-11/h1-9H,(H,16,17)/b15-14+
InChIKeyPSIKAQNVARWEFI-CCEZHUSRSA-N
MW226.23 g/mol
LogP3.80
Rot. Bonds3

About 3-phenyldiazenylbenzoic acid

3-phenyldiazenylbenzoic acid (PubChem CID 555783) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-phenyldiazenylbenzoic acid.

Molecular Properties

Compound Name3-phenyldiazenylbenzoic acid
PubChem CID555783
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name3-phenyldiazenylbenzoic acid
SMILESO=C(O)c1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C13H10N2O2/c16-13(17)10-5-4-8-12(9-10)15-14-11-6-2-1-3-7-11/h1-9H,(H,16,17)/b15-14+
InChIKeyPSIKAQNVARWEFI-CCEZHUSRSA-N
XLogP3.80
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(aminodiazenyl)benzoic acid
CID 147903566
3-[(3,4-dihydroxyphenyl)diazenyl]benzoic acid
CID 135853153
3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid
CID 136915987
4-phenyldiazenylbenzoic acid
CID 15276
4-[(3-hydroxyphenyl)diazenyl]benzoic acid
CID 101366550
[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone
CID 134953272
2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone
CID 170896073
3-[(2-cyclohexylphenyl)diazenyl]benzoic acid
CID 146510600
disodium;3-[(3-carboxylatophenyl)diazenyl]benzoate
CID 101498255
3-(1-aminoethylideneamino)benzoic acid
CID 10775025
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729

Frequently Asked Questions

What is the IUPAC name of 3-phenyldiazenylbenzoic acid?
The IUPAC name of 3-phenyldiazenylbenzoic acid (CID 555783) is 3-phenyldiazenylbenzoic acid.
What is the SMILES notation for 3-phenyldiazenylbenzoic acid?
The canonical SMILES for 3-phenyldiazenylbenzoic acid is O=C(O)c1cccc(/N=N/c2ccccc2)c1.
What is the InChIKey of 3-phenyldiazenylbenzoic acid?
The InChIKey is PSIKAQNVARWEFI-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)10-5-4-8-12(9-10)15-14-11-6-2-1-3-7-11/h1-9H,(H,16,17)/b15-14+.
What are the key properties of 3-phenyldiazenylbenzoic acid?
3-phenyldiazenylbenzoic acid has a molecular weight of 226.23 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyldiazenylbenzoic acid is sourced from PubChem (CID 555783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).