2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine

C15H15FN2O — CID 71259088

IUPAC2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine
SMILESFc1cccc(C2COCC(c3cccnc3)C2)n1
InChIInChI=1S/C15H15FN2O/c16-15-5-1-4-14(18-15)13-7-12(9-19-10-13)11-3-2-6-17-8-11/h1-6,8,12-13H,7,9-10H2
InChIKeyZPNQCIHWIZDEKY-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.90
Rot. Bonds2

About 2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine

2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine (PubChem CID 71259088) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine
PubChem CID71259088
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine
SMILESFc1cccc(C2COCC(c3cccnc3)C2)n1
InChIInChI=1S/C15H15FN2O/c16-15-5-1-4-14(18-15)13-7-12(9-19-10-13)11-3-2-6-17-8-11/h1-6,8,12-13H,7,9-10H2
InChIKeyZPNQCIHWIZDEKY-UHFFFAOYSA-N
XLogP2.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.90
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 2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine?
The IUPAC name of 2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine (CID 71259088) is 2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine.
What is the SMILES notation for 2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine?
The canonical SMILES for 2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine is Fc1cccc(C2COCC(c3cccnc3)C2)n1.
What is the InChIKey of 2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine?
The InChIKey is ZPNQCIHWIZDEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-15-5-1-4-14(18-15)13-7-12(9-19-10-13)11-3-2-6-17-8-11/h1-6,8,12-13H,7,9-10H2.
What are the key properties of 2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine?
2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine has a molecular weight of 258.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(5-pyridin-3-yloxan-3-yl)pyridine is sourced from PubChem (CID 71259088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).