6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine

C8H8ClF3N2S — CID 106432099

IUPAC6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
SMILESFC(F)(F)SCCNc1cccc(Cl)n1
InChIInChI=1S/C8H8ClF3N2S/c9-6-2-1-3-7(14-6)13-4-5-15-8(10,11)12/h1-3H,4-5H2,(H,13,14)
InChIKeyQSBHFSFIKSNUSV-UHFFFAOYSA-N
MW256.68 g/mol
LogP3.40
Rot. Bonds4

About 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine

6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine (PubChem CID 106432099) has the molecular formula C8H8ClF3N2S and a molecular weight of 256.68 g/mol. Its IUPAC name is 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
PubChem CID106432099
Molecular FormulaC8H8ClF3N2S
Molecular Weight256.68 g/mol
Exact Mass256.00
IUPAC Name6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
SMILESFC(F)(F)SCCNc1cccc(Cl)n1
InChIInChI=1S/C8H8ClF3N2S/c9-6-2-1-3-7(14-6)13-4-5-15-8(10,11)12/h1-3H,4-5H2,(H,13,14)
InChIKeyQSBHFSFIKSNUSV-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine (CID 106432099) is 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine is FC(F)(F)SCCNc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine?
The InChIKey is QSBHFSFIKSNUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2S/c9-6-2-1-3-7(14-6)13-4-5-15-8(10,11)12/h1-3H,4-5H2,(H,13,14).
What are the key properties of 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine?
6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine has a molecular weight of 256.68 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106432099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).