5-carboxynaphthalene-2-diazonium

C11H7N2O2+ — CID 155817948

IUPAC5-carboxynaphthalene-2-diazonium
SMILESN#[N+]c1ccc2c(C(=O)O)cccc2c1
InChIInChI=1S/C11H6N2O2/c12-13-8-4-5-9-7(6-8)2-1-3-10(9)11(14)15/h1-6H/p+1
InChIKeyJQUMZJYJKASKAC-UHFFFAOYSA-O
MW199.19 g/mol
LogP3.02
Rot. Bonds1

About 5-carboxynaphthalene-2-diazonium

5-carboxynaphthalene-2-diazonium (PubChem CID 155817948) has the molecular formula C11H7N2O2+ and a molecular weight of 199.19 g/mol. Its IUPAC name is 5-carboxynaphthalene-2-diazonium.

Molecular Properties

Compound Name5-carboxynaphthalene-2-diazonium
PubChem CID155817948
Molecular FormulaC11H7N2O2+
Molecular Weight199.19 g/mol
Exact Mass199.05
IUPAC Name5-carboxynaphthalene-2-diazonium
SMILESN#[N+]c1ccc2c(C(=O)O)cccc2c1
InChIInChI=1S/C11H6N2O2/c12-13-8-4-5-9-7(6-8)2-1-3-10(9)11(14)15/h1-6H/p+1
InChIKeyJQUMZJYJKASKAC-UHFFFAOYSA-O
XLogP3.02
TPSA65.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxynaphthalene-2-diazonium
CID 20577618
6-chloronaphthalene-1-carboxylic acid
CID 13288328
6-cyanonaphthalene-1-carboxylic acid
CID 22622245
5-sulfonaphthalene-2-diazonium
CID 71444489
6-hydrazinylnaphthalene-1-carboxylic acid
CID 150501058
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
6-ethynylnaphthalene-1-carboxylic acid
CID 22338976
2-carboxy-4-diazoniophenolate
CID 54682470
6,7-difluoronaphthalene-1-carboxylic acid
CID 10856682
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
5-iodoanthracene-1-carboxylic acid
CID 139609518
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033

Frequently Asked Questions

What is the IUPAC name of 5-carboxynaphthalene-2-diazonium?
The IUPAC name of 5-carboxynaphthalene-2-diazonium (CID 155817948) is 5-carboxynaphthalene-2-diazonium.
What is the SMILES notation for 5-carboxynaphthalene-2-diazonium?
The canonical SMILES for 5-carboxynaphthalene-2-diazonium is N#[N+]c1ccc2c(C(=O)O)cccc2c1.
What is the InChIKey of 5-carboxynaphthalene-2-diazonium?
The InChIKey is JQUMZJYJKASKAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H6N2O2/c12-13-8-4-5-9-7(6-8)2-1-3-10(9)11(14)15/h1-6H/p+1.
What are the key properties of 5-carboxynaphthalene-2-diazonium?
5-carboxynaphthalene-2-diazonium has a molecular weight of 199.19 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxynaphthalene-2-diazonium is sourced from PubChem (CID 155817948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).