4-bromo-5-fluoro-2,1,3-benzothiadiazole

C6H2BrFN2S — CID 159980541

IUPAC4-bromo-5-fluoro-2,1,3-benzothiadiazole
SMILESFc1ccc2nsnc2c1Br
InChIInChI=1S/C6H2BrFN2S/c7-5-3(8)1-2-4-6(5)10-11-9-4/h1-2H
InChIKeyOFSBXFDINAWOPC-UHFFFAOYSA-N
MW233.06 g/mol
LogP2.59
Rot. Bonds

About 4-bromo-5-fluoro-2,1,3-benzothiadiazole

4-bromo-5-fluoro-2,1,3-benzothiadiazole (PubChem CID 159980541) has the molecular formula C6H2BrFN2S and a molecular weight of 233.06 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-bromo-5-fluoro-2,1,3-benzothiadiazole
PubChem CID159980541
Molecular FormulaC6H2BrFN2S
Molecular Weight233.06 g/mol
Exact Mass231.91
IUPAC Name4-bromo-5-fluoro-2,1,3-benzothiadiazole
SMILESFc1ccc2nsnc2c1Br
InChIInChI=1S/C6H2BrFN2S/c7-5-3(8)1-2-4-6(5)10-11-9-4/h1-2H
InChIKeyOFSBXFDINAWOPC-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2,1,3-benzothiadiazole?
The IUPAC name of 4-bromo-5-fluoro-2,1,3-benzothiadiazole (CID 159980541) is 4-bromo-5-fluoro-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-bromo-5-fluoro-2,1,3-benzothiadiazole?
The canonical SMILES for 4-bromo-5-fluoro-2,1,3-benzothiadiazole is Fc1ccc2nsnc2c1Br.
What is the InChIKey of 4-bromo-5-fluoro-2,1,3-benzothiadiazole?
The InChIKey is OFSBXFDINAWOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrFN2S/c7-5-3(8)1-2-4-6(5)10-11-9-4/h1-2H.
What are the key properties of 4-bromo-5-fluoro-2,1,3-benzothiadiazole?
4-bromo-5-fluoro-2,1,3-benzothiadiazole has a molecular weight of 233.06 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2,1,3-benzothiadiazole is sourced from PubChem (CID 159980541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).