6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine

C13H11F3N2S — CID 67172543

IUPAC6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(SCc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2S/c14-13(15,16)11-6-10(17)7-18-12(11)19-8-9-4-2-1-3-5-9/h1-7H,8,17H2
InChIKeyKZNGOTYEZFVGKJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.97
Rot. Bonds3

About 6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine

6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 67172543) has the molecular formula C13H11F3N2S and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine
PubChem CID67172543
Molecular FormulaC13H11F3N2S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(SCc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2S/c14-13(15,16)11-6-10(17)7-18-12(11)19-8-9-4-2-1-3-5-9/h1-7H,8,17H2
InChIKeyKZNGOTYEZFVGKJ-UHFFFAOYSA-N
XLogP3.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine (CID 67172543) is 6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine is Nc1cnc(SCc2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is KZNGOTYEZFVGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2S/c14-13(15,16)11-6-10(17)7-18-12(11)19-8-9-4-2-1-3-5-9/h1-7H,8,17H2.
What are the key properties of 6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine?
6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 284.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 67172543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).