3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine

C11H7F3N2S — CID 114073919

IUPAC3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine
SMILESNc1nc(Sc2cccc(F)c2)c(F)cc1F
InChIInChI=1S/C11H7F3N2S/c12-6-2-1-3-7(4-6)17-11-9(14)5-8(13)10(15)16-11/h1-5H,(H2,15,16)
InChIKeyPNHJKGQJQRCIJD-UHFFFAOYSA-N
MW256.25 g/mol
LogP3.23
Rot. Bonds2

About 3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine

3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine (PubChem CID 114073919) has the molecular formula C11H7F3N2S and a molecular weight of 256.25 g/mol. Its IUPAC name is 3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine
PubChem CID114073919
Molecular FormulaC11H7F3N2S
Molecular Weight256.25 g/mol
Exact Mass256.03
IUPAC Name3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine
SMILESNc1nc(Sc2cccc(F)c2)c(F)cc1F
InChIInChI=1S/C11H7F3N2S/c12-6-2-1-3-7(4-6)17-11-9(14)5-8(13)10(15)16-11/h1-5H,(H2,15,16)
InChIKeyPNHJKGQJQRCIJD-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine?
The IUPAC name of 3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine (CID 114073919) is 3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine?
The canonical SMILES for 3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine is Nc1nc(Sc2cccc(F)c2)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine?
The InChIKey is PNHJKGQJQRCIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2S/c12-6-2-1-3-7(4-6)17-11-9(14)5-8(13)10(15)16-11/h1-5H,(H2,15,16).
What are the key properties of 3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine?
3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine has a molecular weight of 256.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine is sourced from PubChem (CID 114073919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).