2-diazonio-5-(dimethylamino)benzoate

C9H9N3O2 — CID 172813692

IUPAC2-diazonio-5-(dimethylamino)benzoate
SMILESCN(C)c1ccc([N+]#N)c(C(=O)[O-])c1
InChIInChI=1S/C9H9N3O2/c1-12(2)6-3-4-8(11-10)7(5-6)9(13)14/h3-5H,1-2H3
InChIKeySNJWLHDTEBRIOD-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.60
Rot. Bonds2

About 2-diazonio-5-(dimethylamino)benzoate

2-diazonio-5-(dimethylamino)benzoate (PubChem CID 172813692) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-diazonio-5-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-diazonio-5-(dimethylamino)benzoate
PubChem CID172813692
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-diazonio-5-(dimethylamino)benzoate
SMILESCN(C)c1ccc([N+]#N)c(C(=O)[O-])c1
InChIInChI=1S/C9H9N3O2/c1-12(2)6-3-4-8(11-10)7(5-6)9(13)14/h3-5H,1-2H3
InChIKeySNJWLHDTEBRIOD-UHFFFAOYSA-N
XLogP0.60
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride
CID 88518290
4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride
CID 91496119
6-diazonio-1,3-benzodioxole-5-carboxylate
CID 10058388
1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone
CID 171781093
5-(dimethylamino)-2-methoxybenzenediazonium
CID 57013987
1-[5-(dimethylamino)-2-methylphenyl]ethanone
CID 54505937
4-(dimethylamino)-2-hydroxybenzamide
CID 59564012
CID 170844637
CID 170844637
1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone
CID 100939394
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
5-(dimethylamino)-2-[(4-sulfophenyl)diazenyl]benzoic acid
CID 86059603
cyclohexa-1,3-dien-5-yne;2-diazoniobenzoate;methane;molecular nitrogen
CID 160912340

Frequently Asked Questions

What is the IUPAC name of 2-diazonio-5-(dimethylamino)benzoate?
The IUPAC name of 2-diazonio-5-(dimethylamino)benzoate (CID 172813692) is 2-diazonio-5-(dimethylamino)benzoate.
What is the SMILES notation for 2-diazonio-5-(dimethylamino)benzoate?
The canonical SMILES for 2-diazonio-5-(dimethylamino)benzoate is CN(C)c1ccc([N+]#N)c(C(=O)[O-])c1.
What is the InChIKey of 2-diazonio-5-(dimethylamino)benzoate?
The InChIKey is SNJWLHDTEBRIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-12(2)6-3-4-8(11-10)7(5-6)9(13)14/h3-5H,1-2H3.
What are the key properties of 2-diazonio-5-(dimethylamino)benzoate?
2-diazonio-5-(dimethylamino)benzoate has a molecular weight of 191.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazonio-5-(dimethylamino)benzoate is sourced from PubChem (CID 172813692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).