3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole

C15H9FN2S — CID 141058516

IUPAC3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole
SMILESFc1cccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C15H9FN2S/c16-10-5-3-6-11-14(10)15(18-17-11)13-8-9-4-1-2-7-12(9)19-13/h1-8H,(H,17,18)
InChIKeyFYPCBSKZBHXOFH-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.58
Rot. Bonds1

About 3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole

3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole (PubChem CID 141058516) has the molecular formula C15H9FN2S and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole
PubChem CID141058516
Molecular FormulaC15H9FN2S
Molecular Weight268.32 g/mol
Exact Mass268.05
IUPAC Name3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole
SMILESFc1cccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C15H9FN2S/c16-10-5-3-6-11-14(10)15(18-17-11)13-8-9-4-1-2-7-12(9)19-13/h1-8H,(H,17,18)
InChIKeyFYPCBSKZBHXOFH-UHFFFAOYSA-N
XLogP4.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Fluoro-3-phenyl-1H-indazole
CID 164611597
6-(Thiophen-3-yl)-1H-indazole
CID 18007497
2-(3-(Thiophen-2-YL)-1H-pyrazol-5-YL)aniline
CID 10514262
3-[(E)-2-phenylethenyl]-6-phenylsulfanyl-1H-indazole
CID 21877590
3-(Thiophen-3-ylethynyl)-1H-indazole
CID 42606190
6-(4-methylthiophen-2-yl)-1H-indazole
CID 70851357
2-(6-fluoro-1H-indazol-3-yl)aniline
CID 164609530
5-Fluoro-3-Phenyl-1H-Indazole
CID 13143709
3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
CID 22480051
5-(Thiophen-3-yl)-1H-indazole
CID 19352958
5-(5-methylthiophen-2-yl)-1H-indazole
CID 53408077
6-(Thiophen-2-yl)-1H-indazole
CID 53408450

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole?
The IUPAC name of 3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole (CID 141058516) is 3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole is Fc1cccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole?
The InChIKey is FYPCBSKZBHXOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2S/c16-10-5-3-6-11-14(10)15(18-17-11)13-8-9-4-1-2-7-12(9)19-13/h1-8H,(H,17,18).
What are the key properties of 3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole?
3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole has a molecular weight of 268.32 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole is sourced from PubChem (CID 141058516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).