6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole

C13H10FN3S — CID 69307163

IUPAC6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole
SMILESCSc1nccc(-n2ccc3ccc(F)cc32)n1
InChIInChI=1S/C13H10FN3S/c1-18-13-15-6-4-12(16-13)17-7-5-9-2-3-10(14)8-11(9)17/h2-8H,1H3
InChIKeyNIDMKHRQLUWHMO-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.28
Rot. Bonds2

About 6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole

6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole (PubChem CID 69307163) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole.

Molecular Properties

Compound Name6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole
PubChem CID69307163
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole
SMILESCSc1nccc(-n2ccc3ccc(F)cc32)n1
InChIInChI=1S/C13H10FN3S/c1-18-13-15-6-4-12(16-13)17-7-5-9-2-3-10(14)8-11(9)17/h2-8H,1H3
InChIKeyNIDMKHRQLUWHMO-UHFFFAOYSA-N
XLogP3.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole?
The IUPAC name of 6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole (CID 69307163) is 6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole.
What is the SMILES notation for 6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole?
The canonical SMILES for 6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole is CSc1nccc(-n2ccc3ccc(F)cc32)n1.
What is the InChIKey of 6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole?
The InChIKey is NIDMKHRQLUWHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c1-18-13-15-6-4-12(16-13)17-7-5-9-2-3-10(14)8-11(9)17/h2-8H,1H3.
What are the key properties of 6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole?
6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole has a molecular weight of 259.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole is sourced from PubChem (CID 69307163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).