5-(methylamino)-2-(methyldiazenyl)benzoic acid

C9H11N3O2 — CID 20589181

IUPAC5-(methylamino)-2-(methyldiazenyl)benzoic acid
SMILESC/N=N/c1ccc(NC)cc1C(=O)O
InChIInChI=1S/C9H11N3O2/c1-10-6-3-4-8(12-11-2)7(5-6)9(13)14/h3-5,10H,1-2H3,(H,13,14)/b12-11+
InChIKeyVQQLRKLDGUUDME-VAWYXSNFSA-N
MW193.21 g/mol
LogP2.14
Rot. Bonds3

About 5-(methylamino)-2-(methyldiazenyl)benzoic acid

5-(methylamino)-2-(methyldiazenyl)benzoic acid (PubChem CID 20589181) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-(methylamino)-2-(methyldiazenyl)benzoic acid.

Molecular Properties

Compound Name5-(methylamino)-2-(methyldiazenyl)benzoic acid
PubChem CID20589181
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-(methylamino)-2-(methyldiazenyl)benzoic acid
SMILESC/N=N/c1ccc(NC)cc1C(=O)O
InChIInChI=1S/C9H11N3O2/c1-10-6-3-4-8(12-11-2)7(5-6)9(13)14/h3-5,10H,1-2H3,(H,13,14)/b12-11+
InChIKeyVQQLRKLDGUUDME-VAWYXSNFSA-N
XLogP2.14
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.14
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-iodo-5-(methylamino)benzoic acid
CID 131508198
2-[[4-(methylamino)phenyl]diazenyl]benzoic acid
CID 13038165
5-(methylamino)-2-pyrrolidin-1-ylbenzoic acid
CID 153184017
N-methyl-4-(methyldiazenyl)aniline
CID 23569166
5-[[4-(methylamino)phenyl]diazenyl]benzene-1,3-dicarboxylic acid
CID 21351282
2-formyloxy-4-(methylamino)benzoic acid
CID 174486890
[2,5-bis(methylamino)phenyl]-phenylmethanone
CID 57239314
[2-chloro-5-(methylamino)phenyl]-phenylmethanone
CID 21314189
6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid
CID 151454660
2-[(3Z,5E)-5-hydroxyhepta-3,5-dienyl]-5-(methylamino)benzoic acid
CID 147690640
2-[[4-(bromomethyl)phenyl]diazenyl]-5-(dodecylamino)benzoic acid
CID 141481194
3-(methylamino)benzoic acid;hydrochloride
CID 55250935

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(methyldiazenyl)benzoic acid?
The IUPAC name of 5-(methylamino)-2-(methyldiazenyl)benzoic acid (CID 20589181) is 5-(methylamino)-2-(methyldiazenyl)benzoic acid.
What is the SMILES notation for 5-(methylamino)-2-(methyldiazenyl)benzoic acid?
The canonical SMILES for 5-(methylamino)-2-(methyldiazenyl)benzoic acid is C/N=N/c1ccc(NC)cc1C(=O)O.
What is the InChIKey of 5-(methylamino)-2-(methyldiazenyl)benzoic acid?
The InChIKey is VQQLRKLDGUUDME-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-10-6-3-4-8(12-11-2)7(5-6)9(13)14/h3-5,10H,1-2H3,(H,13,14)/b12-11+.
What are the key properties of 5-(methylamino)-2-(methyldiazenyl)benzoic acid?
5-(methylamino)-2-(methyldiazenyl)benzoic acid has a molecular weight of 193.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(methyldiazenyl)benzoic acid is sourced from PubChem (CID 20589181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).