2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde

C9H4BrIOS — CID 130885028

IUPAC2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1c(Br)sc2c(I)cccc12
InChIInChI=1S/C9H4BrIOS/c10-9-6(4-12)5-2-1-3-7(11)8(5)13-9/h1-4H
InChIKeyUPSKSIUPUANJKW-UHFFFAOYSA-N
MW367.01 g/mol
LogP4.08
Rot. Bonds1

About 2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde

2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde (PubChem CID 130885028) has the molecular formula C9H4BrIOS and a molecular weight of 367.01 g/mol. Its IUPAC name is 2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde
PubChem CID130885028
Molecular FormulaC9H4BrIOS
Molecular Weight367.01 g/mol
Exact Mass365.82
IUPAC Name2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1c(Br)sc2c(I)cccc12
InChIInChI=1S/C9H4BrIOS/c10-9-6(4-12)5-2-1-3-7(11)8(5)13-9/h1-4H
InChIKeyUPSKSIUPUANJKW-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.01
LogP ≤ 54.08
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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Related Compounds

2-amino-7-iodo-1-benzothiophene-3-carbaldehyde
CID 130970896
2-chloro-6-iodobenzaldehyde
CID 58951891
3-formyl-2-iodo-1-benzothiophene-7-carbonitrile
CID 130866004
2-fluoro-7-sulfanyl-1-benzothiophene-3-carbaldehyde
CID 130854629
7-iodo-1-benzothiophene-2,3-diol
CID 131215768
3-bromo-7-iodo-1-benzothiophene
CID 119083473
7-iodo-1-benzothiophene-2,3-diamine
CID 131001187
2,7-diiodo-3-methyl-1-benzothiophene
CID 130914423
2-(chloromethyl)-7-iodo-1-benzothiophene-3-thiol
CID 130988103
3-iodo-7-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 130901437
7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde
CID 130803900
2,6-bis(sulfanyl)benzaldehyde
CID 151971479

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde (CID 130885028) is 2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde is O=Cc1c(Br)sc2c(I)cccc12.
What is the InChIKey of 2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde?
The InChIKey is UPSKSIUPUANJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrIOS/c10-9-6(4-12)5-2-1-3-7(11)8(5)13-9/h1-4H.
What are the key properties of 2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde?
2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde has a molecular weight of 367.01 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 130885028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).