2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine

C20H22FNO2 — CID 18648620

IUPAC2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine
SMILESC=CCCCC1COC(c2ccc(-c3ccc(F)cc3)nc2)OC1
InChIInChI=1S/C20H22FNO2/c1-2-3-4-5-15-13-23-20(24-14-15)17-8-11-19(22-12-17)16-6-9-18(21)10-7-16/h2,6-12,15,20H,1,3-5,13-14H2
InChIKeyJPVVYUIEXJVOKL-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.91
Rot. Bonds6

About 2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine

2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine (PubChem CID 18648620) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine
PubChem CID18648620
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine
SMILESC=CCCCC1COC(c2ccc(-c3ccc(F)cc3)nc2)OC1
InChIInChI=1S/C20H22FNO2/c1-2-3-4-5-15-13-23-20(24-14-15)17-8-11-19(22-12-17)16-6-9-18(21)10-7-16/h2,6-12,15,20H,1,3-5,13-14H2
InChIKeyJPVVYUIEXJVOKL-UHFFFAOYSA-N
XLogP4.91
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine (CID 18648620) is 2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine is C=CCCCC1COC(c2ccc(-c3ccc(F)cc3)nc2)OC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine?
The InChIKey is JPVVYUIEXJVOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-2-3-4-5-15-13-23-20(24-14-15)17-8-11-19(22-12-17)16-6-9-18(21)10-7-16/h2,6-12,15,20H,1,3-5,13-14H2.
What are the key properties of 2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine?
2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine has a molecular weight of 327.40 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine is sourced from PubChem (CID 18648620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).