7-bromo-5-iodo-1-benzothiophen-3-ol

C8H4BrIOS — CID 130866058

IUPAC7-bromo-5-iodo-1-benzothiophen-3-ol
SMILESOc1csc2c(Br)cc(I)cc12
InChIInChI=1S/C8H4BrIOS/c9-6-2-4(10)1-5-7(11)3-12-8(5)6/h1-3,11H
InChIKeyRGJQJQBNJYXSMC-UHFFFAOYSA-N
MW354.99 g/mol
LogP3.97
Rot. Bonds

About 7-bromo-5-iodo-1-benzothiophen-3-ol

7-bromo-5-iodo-1-benzothiophen-3-ol (PubChem CID 130866058) has the molecular formula C8H4BrIOS and a molecular weight of 354.99 g/mol. Its IUPAC name is 7-bromo-5-iodo-1-benzothiophen-3-ol.

Molecular Properties

Compound Name7-bromo-5-iodo-1-benzothiophen-3-ol
PubChem CID130866058
Molecular FormulaC8H4BrIOS
Molecular Weight354.99 g/mol
Exact Mass353.82
IUPAC Name7-bromo-5-iodo-1-benzothiophen-3-ol
SMILESOc1csc2c(Br)cc(I)cc12
InChIInChI=1S/C8H4BrIOS/c9-6-2-4(10)1-5-7(11)3-12-8(5)6/h1-3,11H
InChIKeyRGJQJQBNJYXSMC-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.99
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-bromo-5-iodo-1-benzothiophen-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-5-iodo-3-methoxy-1-benzothiophene
CID 130926576
5-(bromomethyl)-1-benzothiophene-3,7-diol
CID 130826553
7-sulfanyl-1-benzothiophene-3,5-diol
CID 130803540
7-methyl-5-sulfanyl-1-benzothiophen-3-ol
CID 130821450
3,5-dibromo-7-iodo-1-benzothiophene
CID 131053401
1-benzothiophene-3,7-diol
CID 91345161
7-(difluoromethyl)-1-benzothiophene-3,5-diol
CID 131031223
7-ethyl-1-benzothiophene-3,5-diol
CID 130785990
2-bromo-6-chloro-4-iodophenol
CID 102508152
6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol
CID 130961297
5-chloro-3-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130805789
7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol
CID 130971126

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-iodo-1-benzothiophen-3-ol?
The IUPAC name of 7-bromo-5-iodo-1-benzothiophen-3-ol (CID 130866058) is 7-bromo-5-iodo-1-benzothiophen-3-ol.
What is the SMILES notation for 7-bromo-5-iodo-1-benzothiophen-3-ol?
The canonical SMILES for 7-bromo-5-iodo-1-benzothiophen-3-ol is Oc1csc2c(Br)cc(I)cc12.
What is the InChIKey of 7-bromo-5-iodo-1-benzothiophen-3-ol?
The InChIKey is RGJQJQBNJYXSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrIOS/c9-6-2-4(10)1-5-7(11)3-12-8(5)6/h1-3,11H.
What are the key properties of 7-bromo-5-iodo-1-benzothiophen-3-ol?
7-bromo-5-iodo-1-benzothiophen-3-ol has a molecular weight of 354.99 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-iodo-1-benzothiophen-3-ol is sourced from PubChem (CID 130866058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).