6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine

C9H11F3N2S — CID 134176138

IUPAC6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESCCSc1ccc(NCC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2S/c1-2-15-8-4-3-7(5-13-8)14-6-9(10,11)12/h3-5,14H,2,6H2,1H3
InChIKeyCMGZWOJXHRMGNA-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.17
Rot. Bonds4

About 6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine

6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine (PubChem CID 134176138) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
PubChem CID134176138
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESCCSc1ccc(NCC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2S/c1-2-15-8-4-3-7(5-13-8)14-6-9(10,11)12/h3-5,14H,2,6H2,1H3
InChIKeyCMGZWOJXHRMGNA-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The IUPAC name of 6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine (CID 134176138) is 6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine.
What is the SMILES notation for 6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The canonical SMILES for 6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine is CCSc1ccc(NCC(F)(F)F)cn1.
What is the InChIKey of 6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The InChIKey is CMGZWOJXHRMGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c1-2-15-8-4-3-7(5-13-8)14-6-9(10,11)12/h3-5,14H,2,6H2,1H3.
What are the key properties of 6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine has a molecular weight of 236.26 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine is sourced from PubChem (CID 134176138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).