potassium 2-(dimethylaminodiazenyl)benzoate

C9H10KN3O2 — CID 24835169

IUPACpotassium 2-(dimethylaminodiazenyl)benzoate
SMILESCN(C)/N=N/c1ccccc1C(=O)[O-].[K+]
InChIInChI=1S/C9H11N3O2.K/c1-12(2)11-10-8-6-4-3-5-7(8)9(13)14;/h3-6H,1-2H3,(H,13,14);/q;+1/p-1/b11-10+;
InChIKeyPNZJWTBQVQAKQT-ASTDGNLGSA-M
MW231.30 g/mol
LogP-2.39
Rot. Bonds3

About potassium 2-(dimethylaminodiazenyl)benzoate

potassium 2-(dimethylaminodiazenyl)benzoate (PubChem CID 24835169) has the molecular formula C9H10KN3O2 and a molecular weight of 231.30 g/mol. Its IUPAC name is potassium 2-(dimethylaminodiazenyl)benzoate.

Molecular Properties

Compound Namepotassium 2-(dimethylaminodiazenyl)benzoate
PubChem CID24835169
Molecular FormulaC9H10KN3O2
Molecular Weight231.30 g/mol
Exact Mass231.04
IUPAC Namepotassium 2-(dimethylaminodiazenyl)benzoate
SMILESCN(C)/N=N/c1ccccc1C(=O)[O-].[K+]
InChIInChI=1S/C9H11N3O2.K/c1-12(2)11-10-8-6-4-3-5-7(8)9(13)14;/h3-6H,1-2H3,(H,13,14);/q;+1/p-1/b11-10+;
InChIKeyPNZJWTBQVQAKQT-ASTDGNLGSA-M
XLogP-2.39
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-[[2-(dimethylamino)phenyl]diazenyl]benzoate
CID 23717151
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237
trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393
disodium;hydron;phthalate
CID 23089010
bis(lead(2+));phthalate;dihydroxide
CID 102446618
strontium;barium(2+);phthalate;zirconium(4+)
CID 174634619
potassium;azane;2-carboxybenzoate
CID 174947787
potassium;2-carboxybenzoate;hydrofluoride
CID 174556372
potassium 2-(diethylcarbamoyl)benzoate
CID 135085837

Frequently Asked Questions

What is the IUPAC name of potassium 2-(dimethylaminodiazenyl)benzoate?
The IUPAC name of potassium 2-(dimethylaminodiazenyl)benzoate (CID 24835169) is potassium 2-(dimethylaminodiazenyl)benzoate.
What is the SMILES notation for potassium 2-(dimethylaminodiazenyl)benzoate?
The canonical SMILES for potassium 2-(dimethylaminodiazenyl)benzoate is CN(C)/N=N/c1ccccc1C(=O)[O-].[K+].
What is the InChIKey of potassium 2-(dimethylaminodiazenyl)benzoate?
The InChIKey is PNZJWTBQVQAKQT-ASTDGNLGSA-M. The full InChI is InChI=1S/C9H11N3O2.K/c1-12(2)11-10-8-6-4-3-5-7(8)9(13)14;/h3-6H,1-2H3,(H,13,14);/q;+1/p-1/b11-10+;.
What are the key properties of potassium 2-(dimethylaminodiazenyl)benzoate?
potassium 2-(dimethylaminodiazenyl)benzoate has a molecular weight of 231.30 g/mol, XLogP of -2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(dimethylaminodiazenyl)benzoate is sourced from PubChem (CID 24835169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).