4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene

C16H8F4I2N2 — CID 139205206

IUPAC4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(F)c1I.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C6F4I2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;7-1-2(8)6(12)4(10)3(9)5(1)11/h1-8H;
InChIKeyLPQMQKHLEIZQLM-UHFFFAOYSA-N
MW558.05 g/mol
LogP5.60
Rot. Bonds1

About 4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene

4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene (PubChem CID 139205206) has the molecular formula C16H8F4I2N2 and a molecular weight of 558.05 g/mol. Its IUPAC name is 4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene.

Molecular Properties

Compound Name4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
PubChem CID139205206
Molecular FormulaC16H8F4I2N2
Molecular Weight558.05 g/mol
Exact Mass557.87
IUPAC Name4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(F)c1I.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C6F4I2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;7-1-2(8)6(12)4(10)3(9)5(1)11/h1-8H;
InChIKeyLPQMQKHLEIZQLM-UHFFFAOYSA-N
XLogP5.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.05
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The IUPAC name of 4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene (CID 139205206) is 4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene.
What is the SMILES notation for 4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The canonical SMILES for 4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene is Fc1c(F)c(I)c(F)c(F)c1I.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The InChIKey is LPQMQKHLEIZQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C6F4I2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;7-1-2(8)6(12)4(10)3(9)5(1)11/h1-8H;.
What are the key properties of 4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene?
4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene has a molecular weight of 558.05 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene is sourced from PubChem (CID 139205206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).