2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine

C9H12F2N2S — CID 176942283

IUPAC2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine
SMILESCCc1cnc(SC(C)(F)F)cc1N
InChIInChI=1S/C9H12F2N2S/c1-3-6-5-13-8(4-7(6)12)14-9(2,10)11/h4-5H,3H2,1-2H3,(H2,12,13)
InChIKeyPMHSHYMSGULMOE-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.93
Rot. Bonds3

About 2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine

2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine (PubChem CID 176942283) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine
PubChem CID176942283
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC Name2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine
SMILESCCc1cnc(SC(C)(F)F)cc1N
InChIInChI=1S/C9H12F2N2S/c1-3-6-5-13-8(4-7(6)12)14-9(2,10)11/h4-5H,3H2,1-2H3,(H2,12,13)
InChIKeyPMHSHYMSGULMOE-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine?
The IUPAC name of 2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine (CID 176942283) is 2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine.
What is the SMILES notation for 2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine?
The canonical SMILES for 2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine is CCc1cnc(SC(C)(F)F)cc1N.
What is the InChIKey of 2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine?
The InChIKey is PMHSHYMSGULMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c1-3-6-5-13-8(4-7(6)12)14-9(2,10)11/h4-5H,3H2,1-2H3,(H2,12,13).
What are the key properties of 2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine?
2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine has a molecular weight of 218.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethylsulfanyl)-5-ethylpyridin-4-amine is sourced from PubChem (CID 176942283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).