5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole

C11H11FN2OS — CID 134224743

IUPAC5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole
SMILESCSc1nn(C2COC2)c2ccc(F)cc12
InChIInChI=1S/C11H11FN2OS/c1-16-11-9-4-7(12)2-3-10(9)14(13-11)8-5-15-6-8/h2-4,8H,5-6H2,1H3
InChIKeyKYBHTBXIQKMFLT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.47
Rot. Bonds2

About 5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole

5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole (PubChem CID 134224743) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole.

Molecular Properties

Compound Name5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole
PubChem CID134224743
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole
SMILESCSc1nn(C2COC2)c2ccc(F)cc12
InChIInChI=1S/C11H11FN2OS/c1-16-11-9-4-7(12)2-3-10(9)14(13-11)8-5-15-6-8/h2-4,8H,5-6H2,1H3
InChIKeyKYBHTBXIQKMFLT-UHFFFAOYSA-N
XLogP2.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole?
The IUPAC name of 5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole (CID 134224743) is 5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole.
What is the SMILES notation for 5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole?
The canonical SMILES for 5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole is CSc1nn(C2COC2)c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole?
The InChIKey is KYBHTBXIQKMFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-16-11-9-4-7(12)2-3-10(9)14(13-11)8-5-15-6-8/h2-4,8H,5-6H2,1H3.
What are the key properties of 5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole?
5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole has a molecular weight of 238.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole is sourced from PubChem (CID 134224743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).