2-bromo-1,2-diiodoethanol

C2H3BrI2O — CID 131737376

IUPAC2-bromo-1,2-diiodoethanol
SMILESOC(I)C(Br)I
InChIInChI=1S/C2H3BrI2O/c3-1(4)2(5)6/h1-2,6H
InChIKeyFCICJSIEJHMOLV-UHFFFAOYSA-N
MW376.76 g/mol
LogP1.90
Rot. Bonds1

About 2-bromo-1,2-diiodoethanol

2-bromo-1,2-diiodoethanol (PubChem CID 131737376) has the molecular formula C2H3BrI2O and a molecular weight of 376.76 g/mol. Its IUPAC name is 2-bromo-1,2-diiodoethanol.

Molecular Properties

Compound Name2-bromo-1,2-diiodoethanol
PubChem CID131737376
Molecular FormulaC2H3BrI2O
Molecular Weight376.76 g/mol
Exact Mass375.75
IUPAC Name2-bromo-1,2-diiodoethanol
SMILESOC(I)C(Br)I
InChIInChI=1S/C2H3BrI2O/c3-1(4)2(5)6/h1-2,6H
InChIKeyFCICJSIEJHMOLV-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.76
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-diiodoethane-1,2-diol
CID 154486682
nickel;tetrahydroxyphosphanium
CID 175076468
1,2,2-tribromoethanol
CID 19422875
(2S)-2-bromo-2-iodoacetic acid
CID 95858521
1-bromo-2,2-difluoroethanol
CID 87083635
bromo(methoxy)methanol
CID 54225350
2,5-dibromohexane-3,4-diol
CID 102249432
4-bromo-2-iodobutane-1,3-diol
CID 57064895
(Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol
CID 170068750
magnesium;propan-2-ol;iodide
CID 173010280
1,1-dibromo-3-methylbutan-2-ol
CID 15089986
1,3-dibromopropan-1-ol
CID 18177636

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,2-diiodoethanol?
The IUPAC name of 2-bromo-1,2-diiodoethanol (CID 131737376) is 2-bromo-1,2-diiodoethanol.
What is the SMILES notation for 2-bromo-1,2-diiodoethanol?
The canonical SMILES for 2-bromo-1,2-diiodoethanol is OC(I)C(Br)I.
What is the InChIKey of 2-bromo-1,2-diiodoethanol?
The InChIKey is FCICJSIEJHMOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BrI2O/c3-1(4)2(5)6/h1-2,6H.
What are the key properties of 2-bromo-1,2-diiodoethanol?
2-bromo-1,2-diiodoethanol has a molecular weight of 376.76 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,2-diiodoethanol is sourced from PubChem (CID 131737376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).