7-bromo-6-iodo-1-benzothiophen-2-amine

C8H5BrINS — CID 131091670

IUPAC7-bromo-6-iodo-1-benzothiophen-2-amine
SMILESNc1cc2ccc(I)c(Br)c2s1
InChIInChI=1S/C8H5BrINS/c9-7-5(10)2-1-4-3-6(11)12-8(4)7/h1-3H,11H2
InChIKeyYSNPSLNAHMFJOF-UHFFFAOYSA-N
MW354.01 g/mol
LogP3.85
Rot. Bonds

About 7-bromo-6-iodo-1-benzothiophen-2-amine

7-bromo-6-iodo-1-benzothiophen-2-amine (PubChem CID 131091670) has the molecular formula C8H5BrINS and a molecular weight of 354.01 g/mol. Its IUPAC name is 7-bromo-6-iodo-1-benzothiophen-2-amine.

Molecular Properties

Compound Name7-bromo-6-iodo-1-benzothiophen-2-amine
PubChem CID131091670
Molecular FormulaC8H5BrINS
Molecular Weight354.01 g/mol
Exact Mass352.84
IUPAC Name7-bromo-6-iodo-1-benzothiophen-2-amine
SMILESNc1cc2ccc(I)c(Br)c2s1
InChIInChI=1S/C8H5BrINS/c9-7-5(10)2-1-4-3-6(11)12-8(4)7/h1-3H,11H2
InChIKeyYSNPSLNAHMFJOF-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.01
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-bromo-6-iodo-1-benzothiophen-2-amine 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-fluoro-6-iodo-1-benzothiophen-2-amine
CID 130878508
2-(2-amino-6-iodo-1-benzothiophen-7-yl)acetonitrile
CID 130898438
(2-amino-7-iodo-1-benzothiophen-6-yl)methanol
CID 131034404
7-methylthieno[3,2-g][1]benzothiol-2-amine
CID 129228320
2-bromo-6,7-diiodo-1-benzothiophene
CID 131138066
5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine
CID 130866163
2-bromo-3-iodoaniline
CID 91873763
(2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
CID 131076195
(2-amino-6-methoxy-1-benzothiophen-7-yl)methanol
CID 130821048
7-bromo-2-fluoro-1-benzothiophen-6-ol
CID 130854965
1-bromo-2-iodo-6-methylnaphthalene
CID 142890089
6-fluoro-5-iodo-1-benzothiophen-2-amine
CID 130788727

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-iodo-1-benzothiophen-2-amine?
The IUPAC name of 7-bromo-6-iodo-1-benzothiophen-2-amine (CID 131091670) is 7-bromo-6-iodo-1-benzothiophen-2-amine.
What is the SMILES notation for 7-bromo-6-iodo-1-benzothiophen-2-amine?
The canonical SMILES for 7-bromo-6-iodo-1-benzothiophen-2-amine is Nc1cc2ccc(I)c(Br)c2s1.
What is the InChIKey of 7-bromo-6-iodo-1-benzothiophen-2-amine?
The InChIKey is YSNPSLNAHMFJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrINS/c9-7-5(10)2-1-4-3-6(11)12-8(4)7/h1-3H,11H2.
What are the key properties of 7-bromo-6-iodo-1-benzothiophen-2-amine?
7-bromo-6-iodo-1-benzothiophen-2-amine has a molecular weight of 354.01 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-iodo-1-benzothiophen-2-amine is sourced from PubChem (CID 131091670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).