2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine

C11H10F4N2 — CID 103749935

IUPAC2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine
SMILESC#CCC(CC)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C11H10F4N2/c1-3-5-6(4-2)16-9-7(12)10(14)17-11(15)8(9)13/h1,6H,4-5H2,2H3,(H,16,17)
InChIKeyJSSBLIXTSUNLOO-UHFFFAOYSA-N
MW246.21 g/mol
LogP2.85
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine

2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine (PubChem CID 103749935) has the molecular formula C11H10F4N2 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine
PubChem CID103749935
Molecular FormulaC11H10F4N2
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine
SMILESC#CCC(CC)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C11H10F4N2/c1-3-5-6(4-2)16-9-7(12)10(14)17-11(15)8(9)13/h1,6H,4-5H2,2H3,(H,16,17)
InChIKeyJSSBLIXTSUNLOO-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-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 2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine (CID 103749935) is 2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine is C#CCC(CC)Nc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine?
The InChIKey is JSSBLIXTSUNLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2/c1-3-5-6(4-2)16-9-7(12)10(14)17-11(15)8(9)13/h1,6H,4-5H2,2H3,(H,16,17).
What are the key properties of 2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine?
2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine has a molecular weight of 246.21 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine is sourced from PubChem (CID 103749935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).