2-fluoro-3H-1,2,3-benzothiadiazole

C6H5FN2S — CID 169275473

IUPAC2-fluoro-3H-1,2,3-benzothiadiazole
SMILESFN1Nc2ccccc2S1
InChIInChI=1S/C6H5FN2S/c7-9-8-5-3-1-2-4-6(5)10-9/h1-4,8H
InChIKeyHBVUHWRBCBXGPB-UHFFFAOYSA-N
MW156.19 g/mol
LogP2.22
Rot. Bonds

About 2-fluoro-3H-1,2,3-benzothiadiazole

2-fluoro-3H-1,2,3-benzothiadiazole (PubChem CID 169275473) has the molecular formula C6H5FN2S and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-fluoro-3H-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name2-fluoro-3H-1,2,3-benzothiadiazole
PubChem CID169275473
Molecular FormulaC6H5FN2S
Molecular Weight156.19 g/mol
Exact Mass156.02
IUPAC Name2-fluoro-3H-1,2,3-benzothiadiazole
SMILESFN1Nc2ccccc2S1
InChIInChI=1S/C6H5FN2S/c7-9-8-5-3-1-2-4-6(5)10-9/h1-4,8H
InChIKeyHBVUHWRBCBXGPB-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3H-1,2,3-benzothiadiazole?
The IUPAC name of 2-fluoro-3H-1,2,3-benzothiadiazole (CID 169275473) is 2-fluoro-3H-1,2,3-benzothiadiazole.
What is the SMILES notation for 2-fluoro-3H-1,2,3-benzothiadiazole?
The canonical SMILES for 2-fluoro-3H-1,2,3-benzothiadiazole is FN1Nc2ccccc2S1.
What is the InChIKey of 2-fluoro-3H-1,2,3-benzothiadiazole?
The InChIKey is HBVUHWRBCBXGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2S/c7-9-8-5-3-1-2-4-6(5)10-9/h1-4,8H.
What are the key properties of 2-fluoro-3H-1,2,3-benzothiadiazole?
2-fluoro-3H-1,2,3-benzothiadiazole has a molecular weight of 156.19 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3H-1,2,3-benzothiadiazole is sourced from PubChem (CID 169275473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).