molecular iodine

I2 — CID 807

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IUPACmolecular iodine
SMILESII
InChIInChI=1S/I2/c1-2
InChIKeyPNDPGZBMCMUPRI-UHFFFAOYSA-N
MW253.81 g/mol
LogP1.77
Rot. Bonds

About molecular iodine

molecular iodine (PubChem CID 807) has the molecular formula I2 and a molecular weight of 253.81 g/mol. Its IUPAC name is molecular iodine.

Molecular Properties

Compound Namemolecular iodine
PubChem CID807
Molecular FormulaI2
Molecular Weight253.81 g/mol
Exact Mass253.81
IUPAC Namemolecular iodine
SMILESII
InChIInChI=1S/I2/c1-2
InChIKeyPNDPGZBMCMUPRI-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.81
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Iodine I-123
CID 10220516
Iodine I-131
CID 24855
Hematoporphyrin D
CID 437954
Triiodide ion
CID 105054
Iodwasserstoff Iodwasserstoff
CID 444890
Isotope OF mass 125
CID 9859769
Berkelium(III) iodide
CID 177216
Iodine I-129
CID 9903256
Diiodide(.1-)
CID 11966277
Iodoiodanium
CID 17893627
Thorium diiodide
CID 21115822
Plutonium(III) iodide
CID 101943066

Frequently Asked Questions

What is the IUPAC name of molecular iodine?
The IUPAC name of molecular iodine (CID 807) is molecular iodine.
What is the SMILES notation for molecular iodine?
The canonical SMILES for molecular iodine is II.
What is the InChIKey of molecular iodine?
The InChIKey is PNDPGZBMCMUPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/I2/c1-2.
What are the key properties of molecular iodine?
molecular iodine has a molecular weight of 253.81 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine is sourced from PubChem (CID 807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).