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Diiodohydroxyquinoline
CAS: 83-73-8 | C9H5I2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83-73-8
Molecular Formula:
C9H5I2NO
Molecular Mass:
396.95 g/mol
Names and Synonyms:
Diiodohydroxyquinoline
8-Quinolinol, 5,7-diiodo-
5,7-Diiodo-8-quinolinol
Diiodohydroxyquin
Diiodohydroxyquinoline
5,7-Diiodooxine
Diiodoquin
5,7-Diiodo-8-hydroxyquinoline
Dinoleine
Diodohydroxyquin
Diodoquin
Diodoxylin
Di-Quinol
Direxiode
Disoquin
Dyodin
Embequin
Enterosept
Floraquin
8-Hydroxy-5,7-diiodoquinoline
Lanodoxin
Moebiquin
Quinadome
Searlequin
Sebaquin
Zoaquin
Yodoxin
Enterodiamoebin
Diamoebin
Iodoquinol
Diiodoquinol
SS 578
Rafamebin
Ioquin
Searlewuin
Stanquinate
NSC 74939
NSC 8704
Iodoquin
Identifiers:
SMILES:
Oc1c(I)cc(I)c2cccnc12
InChI:
InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
Key Properties
Melting Point
210 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 396.95 g/mol | CAS Common Chemistry |
| 396.95300000000003 g/mol | RDKit | |
| 396.8460597800001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diiodohydroxyquinoline | CAS Common Chemistry |
| Canonical SMILES | IC1=CC(I)=C2C=CC=NC2=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H | CAS Common Chemistry |
| InChI Key | InChIKey=UXZFQZANDVDGMM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 210 °C | CAS Common Chemistry |
| Name | 5,7-Diiodo-8-hydroxyquinoline | CAS Common Chemistry |
| Diiodohydroxyquinoline | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| LogP | 3.1496000000000013 | RDKit |
| Molar Refractivity | 68.8418 | RDKit |
