4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine

C13H6F4IN — CID 122210950

IUPAC4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine
SMILESFc1c(F)c(/C=C/c2ccncc2)c(F)c(F)c1I
InChIInChI=1S/C13H6F4IN/c14-9-8(2-1-7-3-5-19-6-4-7)10(15)12(17)13(18)11(9)16/h1-6H/b2-1+
InChIKeyCSKRIWHHRVNRNF-OWOJBTEDSA-N
MW379.09 g/mol
LogP4.41
Rot. Bonds2

About 4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine

4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine (PubChem CID 122210950) has the molecular formula C13H6F4IN and a molecular weight of 379.09 g/mol. Its IUPAC name is 4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine
PubChem CID122210950
Molecular FormulaC13H6F4IN
Molecular Weight379.09 g/mol
Exact Mass378.95
IUPAC Name4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine
SMILESFc1c(F)c(/C=C/c2ccncc2)c(F)c(F)c1I
InChIInChI=1S/C13H6F4IN/c14-9-8(2-1-7-3-5-19-6-4-7)10(15)12(17)13(18)11(9)16/h1-6H/b2-1+
InChIKeyCSKRIWHHRVNRNF-OWOJBTEDSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139205206
bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139178587
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139148027
4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
CID 86183195
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine
CID 13257451
4-(2-pyridin-4-ylethenyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyridine
CID 154284100
4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]benzaldehyde
CID 71377605
4-[(1E,3E,5E)-6-pyridin-4-ylhexa-1,3,5-trienyl]pyridine
CID 139077080
bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)
CID 139043462
4-[(E)-2-pyridin-4-ylethenyl]benzenethiol
CID 142469132
2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine
CID 1402131

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine (CID 122210950) is 4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine is Fc1c(F)c(/C=C/c2ccncc2)c(F)c(F)c1I.
What is the InChIKey of 4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine?
The InChIKey is CSKRIWHHRVNRNF-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H6F4IN/c14-9-8(2-1-7-3-5-19-6-4-7)10(15)12(17)13(18)11(9)16/h1-6H/b2-1+.
What are the key properties of 4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine?
4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine has a molecular weight of 379.09 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine is sourced from PubChem (CID 122210950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).