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Record Information
Version	2.0
Creation Date	2015-09-08 17:48:45 -0600
Update Date	2015-09-08 17:48:45 -0600
Secondary Accession Numbers	ECMDB24051
Identification
Name:	Iodine
Description
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xaea0edf4> Close
Synonyms:	Value Source I2 ChEBI Jod ChEBI Molecular iodine ChEBI Diiodine Kegg Cadex Kegg Iode HMDB Iodine-molecule HMDB Iodio HMDB Iodum HMDB Jood HMDB Tincture iodine HMDB Iodine 127 MeSH, HMDB Iodine-127 MeSH, HMDB Iodine ChEBI
Chemical Formula:	I2
Weight:	Average: 253.8089 Monoisotopic: 253.80893684
InChI Key:	PNDPGZBMCMUPRI-UHFFFAOYSA-N
InChI:	InChI=1S/I2/c1-2
CAS number:	Not Available
IUPAC Name:	diiodine
Traditional IUPAC Name:	iodine
SMILES:	II
Chemical Taxonomy
Description	belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.
Kingdom	Inorganic compounds
Super Class	Homogeneous non-metal compounds
Class	Homogeneous halogens
Sub Class	Not Available
Direct Parent	Homogeneous halogens
Alternative Parents	Not Available
Substituents	Homogeneous halogen
Molecular Framework	Not Available
External Descriptors	diatomic iodine (CHEBI:17606 ) an inorganic compound (IODINE-MOLECULE )
Physical Properties
State:	Not Available
Charge:	0
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source logP 1.36 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 0 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 0 Ų ChemAxon Rotatable Bond Count 0 ChemAxon Refractivity 26.68 m³·mol⁻¹ ChemAxon Polarizability 10.18 ų ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:
SMPDB Pathways:	Not Available
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive splash10-0udi-0090000000-0b4eb980a6d80c2892dd View in MoNA Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-0udi-0090000000-776e7d808857b52aa594 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-0udi-0090000000-776e7d808857b52aa594 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0udi-0090000000-776e7d808857b52aa594 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-0udi-0090000000-9f41876d0a547fca8258 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0udi-0090000000-9f41876d0a547fca8258 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-0udi-0090000000-9f41876d0a547fca8258 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-0udi-0090000000-d80218a1199b8de0e843 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-0udi-0090000000-d80218a1199b8de0e843 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0udi-0090000000-d80218a1199b8de0e843 View in MoNA
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 17606 HMDB ID HMDB0000675 Pubchem Compound ID 807 Kegg ID C01382 ChemSpider ID Not Available Wikipedia ID Iodine BioCyc ID Not Available