2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine

C13H13FN2S2 — CID 43300353

IUPAC2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCCSc1ccc(F)cc1
InChIInChI=1S/C13H13FN2S2/c14-10-3-5-11(6-4-10)17-8-9-18-13-12(15)2-1-7-16-13/h1-7H,8-9,15H2
InChIKeyGYANVSBHJLOKJR-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.69
Rot. Bonds5

About 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine

2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine (PubChem CID 43300353) has the molecular formula C13H13FN2S2 and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine
PubChem CID43300353
Molecular FormulaC13H13FN2S2
Molecular Weight280.39 g/mol
Exact Mass280.05
IUPAC Name2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCCSc1ccc(F)cc1
InChIInChI=1S/C13H13FN2S2/c14-10-3-5-11(6-4-10)17-8-9-18-13-12(15)2-1-7-16-13/h1-7H,8-9,15H2
InChIKeyGYANVSBHJLOKJR-UHFFFAOYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine (CID 43300353) is 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine is Nc1cccnc1SCCSc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine?
The InChIKey is GYANVSBHJLOKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S2/c14-10-3-5-11(6-4-10)17-8-9-18-13-12(15)2-1-7-16-13/h1-7H,8-9,15H2.
What are the key properties of 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine?
2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine has a molecular weight of 280.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).