3-(aminodiazenyl)benzoic acid

C7H7N3O2 — CID 147903566

IUPAC3-(aminodiazenyl)benzoic acid
SMILESN/N=N/c1cccc(C(=O)O)c1
InChIInChI=1S/C7H7N3O2/c8-10-9-6-3-1-2-5(4-6)7(11)12/h1-4H,(H2,8,9)(H,11,12)
InChIKeyKBXUSWXSPCAIKU-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.34
Rot. Bonds2

About 3-(aminodiazenyl)benzoic acid

3-(aminodiazenyl)benzoic acid (PubChem CID 147903566) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 3-(aminodiazenyl)benzoic acid.

Molecular Properties

Compound Name3-(aminodiazenyl)benzoic acid
PubChem CID147903566
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name3-(aminodiazenyl)benzoic acid
SMILESN/N=N/c1cccc(C(=O)O)c1
InChIInChI=1S/C7H7N3O2/c8-10-9-6-3-1-2-5(4-6)7(11)12/h1-4H,(H2,8,9)(H,11,12)
InChIKeyKBXUSWXSPCAIKU-UHFFFAOYSA-N
XLogP1.34
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyldiazenylbenzoic acid
CID 555783
3-[(3,4-dihydroxyphenyl)diazenyl]benzoic acid
CID 135853153
3-(1-aminoethylideneamino)benzoic acid
CID 10775025
3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzoic acid
CID 125449010
3-[(4-aminophenyl)methyldiazenyl]benzoic acid
CID 91202779
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
CID 139146863
CID 139146863
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid
CID 136915987
3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid
CID 71344750

Frequently Asked Questions

What is the IUPAC name of 3-(aminodiazenyl)benzoic acid?
The IUPAC name of 3-(aminodiazenyl)benzoic acid (CID 147903566) is 3-(aminodiazenyl)benzoic acid.
What is the SMILES notation for 3-(aminodiazenyl)benzoic acid?
The canonical SMILES for 3-(aminodiazenyl)benzoic acid is N/N=N/c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(aminodiazenyl)benzoic acid?
The InChIKey is KBXUSWXSPCAIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c8-10-9-6-3-1-2-5(4-6)7(11)12/h1-4H,(H2,8,9)(H,11,12).
What are the key properties of 3-(aminodiazenyl)benzoic acid?
3-(aminodiazenyl)benzoic acid has a molecular weight of 165.15 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminodiazenyl)benzoic acid is sourced from PubChem (CID 147903566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).