6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine

C10H13F3N2OS — CID 54962084

IUPAC6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCCCOCC(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)7-16-4-1-5-17-9-3-2-8(14)6-15-9/h2-3,6H,1,4-5,7,14H2
InChIKeyYMROYZHZFSEFSL-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.72
Rot. Bonds6

About 6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine

6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine (PubChem CID 54962084) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine
PubChem CID54962084
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCCCOCC(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)7-16-4-1-5-17-9-3-2-8(14)6-15-9/h2-3,6H,1,4-5,7,14H2
InChIKeyYMROYZHZFSEFSL-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.72
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 6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine (CID 54962084) is 6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine is Nc1ccc(SCCCOCC(F)(F)F)nc1.
What is the InChIKey of 6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine?
The InChIKey is YMROYZHZFSEFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c11-10(12,13)7-16-4-1-5-17-9-3-2-8(14)6-15-9/h2-3,6H,1,4-5,7,14H2.
What are the key properties of 6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine?
6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine has a molecular weight of 266.29 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 54962084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).