6-(trifluoromethylsulfanyl)pyridin-3-amine

C6H5F3N2S — CID 43625022

IUPAC6-(trifluoromethylsulfanyl)pyridin-3-amine
SMILESNc1ccc(SC(F)(F)F)nc1
InChIInChI=1S/C6H5F3N2S/c7-6(8,9)12-5-2-1-4(10)3-11-5/h1-3H,10H2
InChIKeyZQKBYZVCPRATNE-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.28
Rot. Bonds1

About 6-(trifluoromethylsulfanyl)pyridin-3-amine

6-(trifluoromethylsulfanyl)pyridin-3-amine (PubChem CID 43625022) has the molecular formula C6H5F3N2S and a molecular weight of 194.18 g/mol. Its IUPAC name is 6-(trifluoromethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(trifluoromethylsulfanyl)pyridin-3-amine
PubChem CID43625022
Molecular FormulaC6H5F3N2S
Molecular Weight194.18 g/mol
Exact Mass194.01
IUPAC Name6-(trifluoromethylsulfanyl)pyridin-3-amine
SMILESNc1ccc(SC(F)(F)F)nc1
InChIInChI=1S/C6H5F3N2S/c7-6(8,9)12-5-2-1-4(10)3-11-5/h1-3H,10H2
InChIKeyZQKBYZVCPRATNE-UHFFFAOYSA-N
XLogP2.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethylsulfanyl)pyridin-3-amine?
The IUPAC name of 6-(trifluoromethylsulfanyl)pyridin-3-amine (CID 43625022) is 6-(trifluoromethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 6-(trifluoromethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 6-(trifluoromethylsulfanyl)pyridin-3-amine is Nc1ccc(SC(F)(F)F)nc1.
What is the InChIKey of 6-(trifluoromethylsulfanyl)pyridin-3-amine?
The InChIKey is ZQKBYZVCPRATNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2S/c7-6(8,9)12-5-2-1-4(10)3-11-5/h1-3H,10H2.
What are the key properties of 6-(trifluoromethylsulfanyl)pyridin-3-amine?
6-(trifluoromethylsulfanyl)pyridin-3-amine has a molecular weight of 194.18 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 43625022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).