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Molecule
Diiodohydroxyquinoline
CAS: 83-73-8 · C9H5I2NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 83-73-8
- Molecular Formula
- C9H5I2NO
- Molecular Mass
- 396.95 g/mol
Identifiers
CAS Registry Number
83-73-8
SMILES
Oc1c(I)cc(I)c2cccnc12
InChI Key
UXZFQZANDVDGMM-UHFFFAOYSA-N
InChI
InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
Names and Synonyms
- Diiodohydroxyquinoline Synonym
- 8-Quinolinol, 5,7-diiodo- Synonym
- 5,7-Diiodo-8-quinolinol Synonym
- Diiodohydroxyquin Synonym
- Diiodohydroxyquinoline Synonym
- 5,7-Diiodooxine Synonym
- Diiodoquin Synonym
- 5,7-Diiodo-8-hydroxyquinoline Synonym
- Dinoleine Synonym
- Diodohydroxyquin Synonym
- Diodoquin Synonym
- Diodoxylin Synonym
- Di-Quinol Synonym
- Direxiode Synonym
- Disoquin Synonym
- Dyodin Synonym
- Embequin Synonym
- Enterosept Synonym
- Floraquin Synonym
- 8-Hydroxy-5,7-diiodoquinoline Synonym
- Lanodoxin Synonym
- Moebiquin Synonym
- Quinadome Synonym
- Searlequin Synonym
- Sebaquin Synonym
- Zoaquin Synonym
- Yodoxin Synonym
- Enterodiamoebin Synonym
- Diamoebin Synonym
- Iodoquinol Synonym
- Diiodoquinol Synonym
- SS 578 Synonym
- Rafamebin Synonym
- Ioquin Synonym
- Searlewuin Synonym
- Stanquinate Synonym
- NSC 74939 Synonym
- NSC 8704 Synonym
- Iodoquin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 396.95 g/mol | CAS Common Chemistry |
| 396.95300000000003 g/mol | RDKit | |
| 396.953 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 |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 3.1496000000000013 | RDKit |
| 3.1496 | RDKit | |
| Molar Refractivity | 68.8418 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 396.8460597800001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 396.95 g/mol. Edit any field — others recompute live.
