5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine

C8H8BrF3N2S — CID 102809306

IUPAC5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine
SMILESFC(F)(F)SCCNc1cncc(Br)c1
InChIInChI=1S/C8H8BrF3N2S/c9-6-3-7(5-13-4-6)14-1-2-15-8(10,11)12/h3-5,14H,1-2H2
InChIKeyYEGLKFKXCPBCBY-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.51
Rot. Bonds4

About 5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine

5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine (PubChem CID 102809306) has the molecular formula C8H8BrF3N2S and a molecular weight of 301.13 g/mol. Its IUPAC name is 5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine
PubChem CID102809306
Molecular FormulaC8H8BrF3N2S
Molecular Weight301.13 g/mol
Exact Mass299.95
IUPAC Name5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine
SMILESFC(F)(F)SCCNc1cncc(Br)c1
InChIInChI=1S/C8H8BrF3N2S/c9-6-3-7(5-13-4-6)14-1-2-15-8(10,11)12/h3-5,14H,1-2H2
InChIKeyYEGLKFKXCPBCBY-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine (CID 102809306) is 5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine is FC(F)(F)SCCNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine?
The InChIKey is YEGLKFKXCPBCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2S/c9-6-3-7(5-13-4-6)14-1-2-15-8(10,11)12/h3-5,14H,1-2H2.
What are the key properties of 5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine?
5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine has a molecular weight of 301.13 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 102809306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).