5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine

C6H4ClF3N2S — CID 75530013

IUPAC5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine
SMILESNc1cc(Cl)cnc1SC(F)(F)F
InChIInChI=1S/C6H4ClF3N2S/c7-3-1-4(11)5(12-2-3)13-6(8,9)10/h1-2H,11H2
InChIKeyWTESFYZNKPIBAS-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.93
Rot. Bonds1

About 5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine

5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine (PubChem CID 75530013) has the molecular formula C6H4ClF3N2S and a molecular weight of 228.63 g/mol. Its IUPAC name is 5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine
PubChem CID75530013
Molecular FormulaC6H4ClF3N2S
Molecular Weight228.63 g/mol
Exact Mass227.97
IUPAC Name5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine
SMILESNc1cc(Cl)cnc1SC(F)(F)F
InChIInChI=1S/C6H4ClF3N2S/c7-3-1-4(11)5(12-2-3)13-6(8,9)10/h1-2H,11H2
InChIKeyWTESFYZNKPIBAS-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine?
The IUPAC name of 5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine (CID 75530013) is 5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine is Nc1cc(Cl)cnc1SC(F)(F)F.
What is the InChIKey of 5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine?
The InChIKey is WTESFYZNKPIBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2S/c7-3-1-4(11)5(12-2-3)13-6(8,9)10/h1-2H,11H2.
What are the key properties of 5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine?
5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine has a molecular weight of 228.63 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(trifluoromethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 75530013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).