4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine

C13H11F3N2OS — CID 43300097

IUPAC4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)19-10-3-1-9(2-4-10)8-20-12-5-6-18-7-11(12)17/h1-7H,8,17H2
InChIKeyWRQUOTRLGYXFJZ-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.85
Rot. Bonds4

About 4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine

4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine (PubChem CID 43300097) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine
PubChem CID43300097
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)19-10-3-1-9(2-4-10)8-20-12-5-6-18-7-11(12)17/h1-7H,8,17H2
InChIKeyWRQUOTRLGYXFJZ-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine (CID 43300097) is 4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine is Nc1cnccc1SCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine?
The InChIKey is WRQUOTRLGYXFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c14-13(15,16)19-10-3-1-9(2-4-10)8-20-12-5-6-18-7-11(12)17/h1-7H,8,17H2.
What are the key properties of 4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine?
4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine has a molecular weight of 300.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).