1-carboxy-3-(diazonioamino)benzene

C7H6N3O2+ — CID 56608787

IUPAC1-carboxy-3-(diazonioamino)benzene
SMILESN#[N+]Nc1cccc(C(=O)O)c1
InChIInChI=1S/C7H5N3O2/c8-10-9-6-3-1-2-5(4-6)7(11)12/h1-4,9H/p+1
InChIKeyVPLRIOJUVQGOQP-UHFFFAOYSA-O
MW164.14 g/mol
LogP1.56
Rot. Bonds2

About 1-carboxy-3-(diazonioamino)benzene

1-carboxy-3-(diazonioamino)benzene (PubChem CID 56608787) has the molecular formula C7H6N3O2+ and a molecular weight of 164.14 g/mol. Its IUPAC name is 1-carboxy-3-(diazonioamino)benzene.

Molecular Properties

Compound Name1-carboxy-3-(diazonioamino)benzene
PubChem CID56608787
Molecular FormulaC7H6N3O2+
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name1-carboxy-3-(diazonioamino)benzene
SMILESN#[N+]Nc1cccc(C(=O)O)c1
InChIInChI=1S/C7H5N3O2/c8-10-9-6-3-1-2-5(4-6)7(11)12/h1-4,9H/p+1
InChIKeyVPLRIOJUVQGOQP-UHFFFAOYSA-O
XLogP1.56
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-carboxy-3-(diazonioamino)benzene?
The IUPAC name of 1-carboxy-3-(diazonioamino)benzene (CID 56608787) is 1-carboxy-3-(diazonioamino)benzene.
What is the SMILES notation for 1-carboxy-3-(diazonioamino)benzene?
The canonical SMILES for 1-carboxy-3-(diazonioamino)benzene is N#[N+]Nc1cccc(C(=O)O)c1.
What is the InChIKey of 1-carboxy-3-(diazonioamino)benzene?
The InChIKey is VPLRIOJUVQGOQP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H5N3O2/c8-10-9-6-3-1-2-5(4-6)7(11)12/h1-4,9H/p+1.
What are the key properties of 1-carboxy-3-(diazonioamino)benzene?
1-carboxy-3-(diazonioamino)benzene has a molecular weight of 164.14 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carboxy-3-(diazonioamino)benzene is sourced from PubChem (CID 56608787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).