4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide

C15H11F13IN — CID 162542747

IUPAC4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide
SMILESC=Cc1ccnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F)c1.I
InChIInChI=1S/C15H10F13N.HI/c1-2-8-3-6-29-9(7-8)12(21,22)14(25,26)15(27,28)13(23,24)10(16,17)4-5-11(18,19)20;/h2-3,6-7H,1,4-5H2;1H
InChIKeyWPLVTLMILTZGEP-UHFFFAOYSA-N
MW579.14 g/mol
LogP7.32
Rot. Bonds8

About 4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide

4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide (PubChem CID 162542747) has the molecular formula C15H11F13IN and a molecular weight of 579.14 g/mol. Its IUPAC name is 4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide.

Molecular Properties

Compound Name4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide
PubChem CID162542747
Molecular FormulaC15H11F13IN
Molecular Weight579.14 g/mol
Exact Mass578.97
IUPAC Name4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide
SMILESC=Cc1ccnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F)c1.I
InChIInChI=1S/C15H10F13N.HI/c1-2-8-3-6-29-9(7-8)12(21,22)14(25,26)15(27,28)13(23,24)10(16,17)4-5-11(18,19)20;/h2-3,6-7H,1,4-5H2;1H
InChIKeyWPLVTLMILTZGEP-UHFFFAOYSA-N
XLogP7.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.14
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide?
The IUPAC name of 4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide (CID 162542747) is 4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide.
What is the SMILES notation for 4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide?
The canonical SMILES for 4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide is C=Cc1ccnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F)c1.I.
What is the InChIKey of 4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide?
The InChIKey is WPLVTLMILTZGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F13N.HI/c1-2-8-3-6-29-9(7-8)12(21,22)14(25,26)15(27,28)13(23,24)10(16,17)4-5-11(18,19)20;/h2-3,6-7H,1,4-5H2;1H.
What are the key properties of 4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide?
4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide has a molecular weight of 579.14 g/mol, XLogP of 7.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide is sourced from PubChem (CID 162542747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).