3-ethoxycarbonylnaphthalene-2-diazonium

C13H11N2O2+ — CID 3698524

IUPAC3-ethoxycarbonylnaphthalene-2-diazonium
SMILESCCOC(=O)c1cc2ccccc2cc1[N+]#N
InChIInChI=1S/C13H11N2O2/c1-2-17-13(16)11-7-9-5-3-4-6-10(9)8-12(11)15-14/h3-8H,2H2,1H3/q+1
InChIKeyILUIKHXWPXGSKK-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.50
Rot. Bonds2

About 3-ethoxycarbonylnaphthalene-2-diazonium

3-ethoxycarbonylnaphthalene-2-diazonium (PubChem CID 3698524) has the molecular formula C13H11N2O2+ and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-ethoxycarbonylnaphthalene-2-diazonium.

Molecular Properties

Compound Name3-ethoxycarbonylnaphthalene-2-diazonium
PubChem CID3698524
Molecular FormulaC13H11N2O2+
Molecular Weight227.24 g/mol
Exact Mass227.08
IUPAC Name3-ethoxycarbonylnaphthalene-2-diazonium
SMILESCCOC(=O)c1cc2ccccc2cc1[N+]#N
InChIInChI=1S/C13H11N2O2/c1-2-17-13(16)11-7-9-5-3-4-6-10(9)8-12(11)15-14/h3-8H,2H2,1H3/q+1
InChIKeyILUIKHXWPXGSKK-UHFFFAOYSA-N
XLogP3.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
2-ethoxycarbonylbenzenediazonium tetrafluoroborate
CID 11065296
anthracene;ethyl carbamate
CID 174381530
ethyl 3-(acetyloxymethyl)pentacene-2-carboxylate
CID 122214946
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
dipropyl tetracene-2,3-dicarboxylate
CID 132917219
diethyl 1-oxidoquinolin-1-ium-2,3-dicarboxylate
CID 13351919
diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
CID 6501538
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethyl benzo[e][1]benzofuran-4-carboxylate
CID 139258571
2-aminoquinoline-3-carboxylic acid;ethyl 2-aminoquinoline-3-carboxylate
CID 161289500

Frequently Asked Questions

What is the IUPAC name of 3-ethoxycarbonylnaphthalene-2-diazonium?
The IUPAC name of 3-ethoxycarbonylnaphthalene-2-diazonium (CID 3698524) is 3-ethoxycarbonylnaphthalene-2-diazonium.
What is the SMILES notation for 3-ethoxycarbonylnaphthalene-2-diazonium?
The canonical SMILES for 3-ethoxycarbonylnaphthalene-2-diazonium is CCOC(=O)c1cc2ccccc2cc1[N+]#N.
What is the InChIKey of 3-ethoxycarbonylnaphthalene-2-diazonium?
The InChIKey is ILUIKHXWPXGSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O2/c1-2-17-13(16)11-7-9-5-3-4-6-10(9)8-12(11)15-14/h3-8H,2H2,1H3/q+1.
What are the key properties of 3-ethoxycarbonylnaphthalene-2-diazonium?
3-ethoxycarbonylnaphthalene-2-diazonium has a molecular weight of 227.24 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycarbonylnaphthalene-2-diazonium is sourced from PubChem (CID 3698524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).