4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine

C16H8F4N2 — CID 87660487

IUPAC4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine
SMILESFc1c(F)c(F)c(-c2ccncc2)c(-c2ccncc2)c1F
InChIInChI=1S/C16H8F4N2/c17-13-11(9-1-5-21-6-2-9)12(10-3-7-22-8-4-10)14(18)16(20)15(13)19/h1-8H
InChIKeyNIRBMSMAWOIQCZ-UHFFFAOYSA-N
MW304.25 g/mol
LogP4.37
Rot. Bonds2

About 4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine

4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine (PubChem CID 87660487) has the molecular formula C16H8F4N2 and a molecular weight of 304.25 g/mol. Its IUPAC name is 4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine.

Molecular Properties

Compound Name4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine
PubChem CID87660487
Molecular FormulaC16H8F4N2
Molecular Weight304.25 g/mol
Exact Mass304.06
IUPAC Name4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine
SMILESFc1c(F)c(F)c(-c2ccncc2)c(-c2ccncc2)c1F
InChIInChI=1S/C16H8F4N2/c17-13-11(9-1-5-21-6-2-9)12(10-3-7-22-8-4-10)14(18)16(20)15(13)19/h1-8H
InChIKeyNIRBMSMAWOIQCZ-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 54.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine?
The IUPAC name of 4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine (CID 87660487) is 4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine.
What is the SMILES notation for 4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine?
The canonical SMILES for 4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine is Fc1c(F)c(F)c(-c2ccncc2)c(-c2ccncc2)c1F.
What is the InChIKey of 4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine?
The InChIKey is NIRBMSMAWOIQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F4N2/c17-13-11(9-1-5-21-6-2-9)12(10-3-7-22-8-4-10)14(18)16(20)15(13)19/h1-8H.
What are the key properties of 4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine?
4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine has a molecular weight of 304.25 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine is sourced from PubChem (CID 87660487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).