4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine

C21H11F4N3 — CID 142508383

IUPAC4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine
SMILESFc1nc(F)c(F)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1F
InChIInChI=1S/C21H11F4N3/c22-17-16(18(23)20(25)28-19(17)24)21-26-14(12-7-3-1-4-8-12)11-15(27-21)13-9-5-2-6-10-13/h1-11H
InChIKeyFVDBZCMGKLGWOR-UHFFFAOYSA-N
MW381.33 g/mol
LogP5.43
Rot. Bonds3

About 4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine

4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine (PubChem CID 142508383) has the molecular formula C21H11F4N3 and a molecular weight of 381.33 g/mol. Its IUPAC name is 4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine
PubChem CID142508383
Molecular FormulaC21H11F4N3
Molecular Weight381.33 g/mol
Exact Mass381.09
IUPAC Name4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine
SMILESFc1nc(F)c(F)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1F
InChIInChI=1S/C21H11F4N3/c22-17-16(18(23)20(25)28-19(17)24)21-26-14(12-7-3-1-4-8-12)11-15(27-21)13-9-5-2-6-10-13/h1-11H
InChIKeyFVDBZCMGKLGWOR-UHFFFAOYSA-N
XLogP5.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.33
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine?
The IUPAC name of 4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine (CID 142508383) is 4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine is Fc1nc(F)c(F)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1F.
What is the InChIKey of 4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine?
The InChIKey is FVDBZCMGKLGWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F4N3/c22-17-16(18(23)20(25)28-19(17)24)21-26-14(12-7-3-1-4-8-12)11-15(27-21)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine?
4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine has a molecular weight of 381.33 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrimidine is sourced from PubChem (CID 142508383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).