3-bromo-5-iodothiophene-2-carbaldehyde

C5H2BrIOS — CID 155943400

IUPAC3-bromo-5-iodothiophene-2-carbaldehyde
SMILESO=Cc1sc(I)cc1Br
InChIInChI=1S/C5H2BrIOS/c6-3-1-5(7)9-4(3)2-8/h1-2H
InChIKeyBJQLWDBWQMPKTO-UHFFFAOYSA-N
MW316.95 g/mol
LogP2.93
Rot. Bonds1

About 3-bromo-5-iodothiophene-2-carbaldehyde

3-bromo-5-iodothiophene-2-carbaldehyde (PubChem CID 155943400) has the molecular formula C5H2BrIOS and a molecular weight of 316.95 g/mol. Its IUPAC name is 3-bromo-5-iodothiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-5-iodothiophene-2-carbaldehyde
PubChem CID155943400
Molecular FormulaC5H2BrIOS
Molecular Weight316.95 g/mol
Exact Mass315.81
IUPAC Name3-bromo-5-iodothiophene-2-carbaldehyde
SMILESO=Cc1sc(I)cc1Br
InChIInChI=1S/C5H2BrIOS/c6-3-1-5(7)9-4(3)2-8/h1-2H
InChIKeyBJQLWDBWQMPKTO-UHFFFAOYSA-N
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.95
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodothiophene-2-carbaldehyde?
The IUPAC name of 3-bromo-5-iodothiophene-2-carbaldehyde (CID 155943400) is 3-bromo-5-iodothiophene-2-carbaldehyde.
What is the SMILES notation for 3-bromo-5-iodothiophene-2-carbaldehyde?
The canonical SMILES for 3-bromo-5-iodothiophene-2-carbaldehyde is O=Cc1sc(I)cc1Br.
What is the InChIKey of 3-bromo-5-iodothiophene-2-carbaldehyde?
The InChIKey is BJQLWDBWQMPKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrIOS/c6-3-1-5(7)9-4(3)2-8/h1-2H.
What are the key properties of 3-bromo-5-iodothiophene-2-carbaldehyde?
3-bromo-5-iodothiophene-2-carbaldehyde has a molecular weight of 316.95 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-iodothiophene-2-carbaldehyde is sourced from PubChem (CID 155943400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).