6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole

C13H9FN2S — CID 141079194

IUPAC6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole
SMILESFc1ccc2c(/C=C/c3cccs3)n[nH]c2c1
InChIInChI=1S/C13H9FN2S/c14-9-3-5-11-12(15-16-13(11)8-9)6-4-10-2-1-7-17-10/h1-8H,(H,15,16)/b6-4+
InChIKeyQJIACKYMXVGXDS-GQCTYLIASA-N
MW244.29 g/mol
LogP3.93
Rot. Bonds2

About 6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole

6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole (PubChem CID 141079194) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole.

Molecular Properties

Compound Name6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole
PubChem CID141079194
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC Name6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole
SMILESFc1ccc2c(/C=C/c3cccs3)n[nH]c2c1
InChIInChI=1S/C13H9FN2S/c14-9-3-5-11-12(15-16-13(11)8-9)6-4-10-2-1-7-17-10/h1-8H,(H,15,16)/b6-4+
InChIKeyQJIACKYMXVGXDS-GQCTYLIASA-N
XLogP3.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole?
The IUPAC name of 6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole (CID 141079194) is 6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole.
What is the SMILES notation for 6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole?
The canonical SMILES for 6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole is Fc1ccc2c(/C=C/c3cccs3)n[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole?
The InChIKey is QJIACKYMXVGXDS-GQCTYLIASA-N. The full InChI is InChI=1S/C13H9FN2S/c14-9-3-5-11-12(15-16-13(11)8-9)6-4-10-2-1-7-17-10/h1-8H,(H,15,16)/b6-4+.
What are the key properties of 6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole?
6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole has a molecular weight of 244.29 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole is sourced from PubChem (CID 141079194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).