6-(3,4-difluorophenyl)sulfanylpyridin-3-amine

C11H8F2N2S — CID 43345149

IUPAC6-(3,4-difluorophenyl)sulfanylpyridin-3-amine
SMILESNc1ccc(Sc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C11H8F2N2S/c12-9-3-2-8(5-10(9)13)16-11-4-1-7(14)6-15-11/h1-6H,14H2
InChIKeyGKKGVJDGVKFTIZ-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.09
Rot. Bonds2

About 6-(3,4-difluorophenyl)sulfanylpyridin-3-amine

6-(3,4-difluorophenyl)sulfanylpyridin-3-amine (PubChem CID 43345149) has the molecular formula C11H8F2N2S and a molecular weight of 238.26 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)sulfanylpyridin-3-amine
PubChem CID43345149
Molecular FormulaC11H8F2N2S
Molecular Weight238.26 g/mol
Exact Mass238.04
IUPAC Name6-(3,4-difluorophenyl)sulfanylpyridin-3-amine
SMILESNc1ccc(Sc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C11H8F2N2S/c12-9-3-2-8(5-10(9)13)16-11-4-1-7(14)6-15-11/h1-6H,14H2
InChIKeyGKKGVJDGVKFTIZ-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)sulfanylpyridin-3-amine?
The IUPAC name of 6-(3,4-difluorophenyl)sulfanylpyridin-3-amine (CID 43345149) is 6-(3,4-difluorophenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)sulfanylpyridin-3-amine is Nc1ccc(Sc2ccc(F)c(F)c2)nc1.
What is the InChIKey of 6-(3,4-difluorophenyl)sulfanylpyridin-3-amine?
The InChIKey is GKKGVJDGVKFTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2S/c12-9-3-2-8(5-10(9)13)16-11-4-1-7(14)6-15-11/h1-6H,14H2.
What are the key properties of 6-(3,4-difluorophenyl)sulfanylpyridin-3-amine?
6-(3,4-difluorophenyl)sulfanylpyridin-3-amine has a molecular weight of 238.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 43345149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).