4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine

C22H16FN3O — CID 21266461

IUPAC4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine
SMILESFc1ccc(-c2cc(OCc3ccncc3)ncc2-c2ccncc2)cc1
InChIInChI=1S/C22H16FN3O/c23-19-3-1-17(2-4-19)20-13-22(27-15-16-5-9-24-10-6-16)26-14-21(20)18-7-11-25-12-8-18/h1-14H,15H2
InChIKeyPNSABNXYZWOLFW-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.92
Rot. Bonds5

About 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine

4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine (PubChem CID 21266461) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine
PubChem CID21266461
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine
SMILESFc1ccc(-c2cc(OCc3ccncc3)ncc2-c2ccncc2)cc1
InChIInChI=1S/C22H16FN3O/c23-19-3-1-17(2-4-19)20-13-22(27-15-16-5-9-24-10-6-16)26-14-21(20)18-7-11-25-12-8-18/h1-14H,15H2
InChIKeyPNSABNXYZWOLFW-UHFFFAOYSA-N
XLogP4.92
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine?
The IUPAC name of 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine (CID 21266461) is 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine is Fc1ccc(-c2cc(OCc3ccncc3)ncc2-c2ccncc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine?
The InChIKey is PNSABNXYZWOLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-19-3-1-17(2-4-19)20-13-22(27-15-16-5-9-24-10-6-16)26-14-21(20)18-7-11-25-12-8-18/h1-14H,15H2.
What are the key properties of 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine?
4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine has a molecular weight of 357.39 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine is sourced from PubChem (CID 21266461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).