5-bromo-6-iodo-4-methoxy-1-benzothiophene

C9H6BrIOS — CID 131059967

IUPAC5-bromo-6-iodo-4-methoxy-1-benzothiophene
SMILESCOc1c(Br)c(I)cc2sccc12
InChIInChI=1S/C9H6BrIOS/c1-12-9-5-2-3-13-7(5)4-6(11)8(9)10/h2-4H,1H3
InChIKeyAMDHQRROEHAXBO-UHFFFAOYSA-N
MW369.02 g/mol
LogP4.28
Rot. Bonds1

About 5-bromo-6-iodo-4-methoxy-1-benzothiophene

5-bromo-6-iodo-4-methoxy-1-benzothiophene (PubChem CID 131059967) has the molecular formula C9H6BrIOS and a molecular weight of 369.02 g/mol. Its IUPAC name is 5-bromo-6-iodo-4-methoxy-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-6-iodo-4-methoxy-1-benzothiophene
PubChem CID131059967
Molecular FormulaC9H6BrIOS
Molecular Weight369.02 g/mol
Exact Mass367.84
IUPAC Name5-bromo-6-iodo-4-methoxy-1-benzothiophene
SMILESCOc1c(Br)c(I)cc2sccc12
InChIInChI=1S/C9H6BrIOS/c1-12-9-5-2-3-13-7(5)4-6(11)8(9)10/h2-4H,1H3
InChIKeyAMDHQRROEHAXBO-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.02
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
5,6-diiodo-4-methyl-1-benzothiophene
CID 130969316
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
5-bromo-4-iodo-1-benzothiophene-6-thiol
CID 131001287
6-amino-4-methoxy-1-benzothiophen-5-ol
CID 84666228
4-bromo-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 130839750
5-iodo-6-methoxy-1-benzothiophen-4-amine
CID 130955850
5,6-dimethoxy-4-methyl-1-benzothiophene
CID 131080478
5-fluoro-6-iodo-4-methyl-1-benzothiophene
CID 131123102
6-(chloromethyl)-4-methoxy-5-methyl-1-benzothiophene
CID 130840117
4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859
4-chloro-6-fluoro-5-methoxy-1-benzothiophene
CID 130985220

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-iodo-4-methoxy-1-benzothiophene?
The IUPAC name of 5-bromo-6-iodo-4-methoxy-1-benzothiophene (CID 131059967) is 5-bromo-6-iodo-4-methoxy-1-benzothiophene.
What is the SMILES notation for 5-bromo-6-iodo-4-methoxy-1-benzothiophene?
The canonical SMILES for 5-bromo-6-iodo-4-methoxy-1-benzothiophene is COc1c(Br)c(I)cc2sccc12.
What is the InChIKey of 5-bromo-6-iodo-4-methoxy-1-benzothiophene?
The InChIKey is AMDHQRROEHAXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrIOS/c1-12-9-5-2-3-13-7(5)4-6(11)8(9)10/h2-4H,1H3.
What are the key properties of 5-bromo-6-iodo-4-methoxy-1-benzothiophene?
5-bromo-6-iodo-4-methoxy-1-benzothiophene has a molecular weight of 369.02 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-iodo-4-methoxy-1-benzothiophene is sourced from PubChem (CID 131059967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).