3-bromo-5-iodo-6-phenylpyran-2-one

C11H6BrIO2 — CID 10937690

IUPAC3-bromo-5-iodo-6-phenylpyran-2-one
SMILESO=c1oc(-c2ccccc2)c(I)cc1Br
InChIInChI=1S/C11H6BrIO2/c12-8-6-9(13)10(15-11(8)14)7-4-2-1-3-5-7/h1-6H
InChIKeyAOOFAUBZNVTLOI-UHFFFAOYSA-N
MW376.98 g/mol
LogP3.67
Rot. Bonds1

About 3-bromo-5-iodo-6-phenylpyran-2-one

3-bromo-5-iodo-6-phenylpyran-2-one (PubChem CID 10937690) has the molecular formula C11H6BrIO2 and a molecular weight of 376.98 g/mol. Its IUPAC name is 3-bromo-5-iodo-6-phenylpyran-2-one.

Molecular Properties

Compound Name3-bromo-5-iodo-6-phenylpyran-2-one
PubChem CID10937690
Molecular FormulaC11H6BrIO2
Molecular Weight376.98 g/mol
Exact Mass375.86
IUPAC Name3-bromo-5-iodo-6-phenylpyran-2-one
SMILESO=c1oc(-c2ccccc2)c(I)cc1Br
InChIInChI=1S/C11H6BrIO2/c12-8-6-9(13)10(15-11(8)14)7-4-2-1-3-5-7/h1-6H
InChIKeyAOOFAUBZNVTLOI-UHFFFAOYSA-N
XLogP3.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.98
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodo-6-phenylpyran-2-one?
The IUPAC name of 3-bromo-5-iodo-6-phenylpyran-2-one (CID 10937690) is 3-bromo-5-iodo-6-phenylpyran-2-one.
What is the SMILES notation for 3-bromo-5-iodo-6-phenylpyran-2-one?
The canonical SMILES for 3-bromo-5-iodo-6-phenylpyran-2-one is O=c1oc(-c2ccccc2)c(I)cc1Br.
What is the InChIKey of 3-bromo-5-iodo-6-phenylpyran-2-one?
The InChIKey is AOOFAUBZNVTLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrIO2/c12-8-6-9(13)10(15-11(8)14)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 3-bromo-5-iodo-6-phenylpyran-2-one?
3-bromo-5-iodo-6-phenylpyran-2-one has a molecular weight of 376.98 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-iodo-6-phenylpyran-2-one is sourced from PubChem (CID 10937690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).