2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine

C15F11NO — CID 15178365

IUPAC2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine
SMILESFc1nc(F)c(F)c(Oc2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c1F
InChIInChI=1S/C15F11NO/c16-3-1-2(5(18)7(20)6(3)19)12(9(22)8(21)4(1)17)28-13-10(23)14(25)27-15(26)11(13)24
InChIKeyIYFVYINJWOBULY-UHFFFAOYSA-N
MW419.15 g/mol
LogP5.56
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine

2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine (PubChem CID 15178365) has the molecular formula C15F11NO and a molecular weight of 419.15 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine
PubChem CID15178365
Molecular FormulaC15F11NO
Molecular Weight419.15 g/mol
Exact Mass418.98
IUPAC Name2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine
SMILESFc1nc(F)c(F)c(Oc2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c1F
InChIInChI=1S/C15F11NO/c16-3-1-2(5(18)7(20)6(3)19)12(9(22)8(21)4(1)17)28-13-10(23)14(25)27-15(26)11(13)24
InChIKeyIYFVYINJWOBULY-UHFFFAOYSA-N
XLogP5.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.15
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine (CID 15178365) is 2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine is Fc1nc(F)c(F)c(Oc2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine?
The InChIKey is IYFVYINJWOBULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15F11NO/c16-3-1-2(5(18)7(20)6(3)19)12(9(22)8(21)4(1)17)28-13-10(23)14(25)27-15(26)11(13)24.
What are the key properties of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine?
2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine has a molecular weight of 419.15 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxypyridine is sourced from PubChem (CID 15178365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).