2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine

C18H18FNO2 — CID 19812579

IUPAC2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine
SMILESC/C=C/C1COC(c2ccc(-c3ccc(F)cc3)nc2)OC1
InChIInChI=1S/C18H18FNO2/c1-2-3-13-11-21-18(22-12-13)15-6-9-17(20-10-15)14-4-7-16(19)8-5-14/h2-10,13,18H,11-12H2,1H3/b3-2+
InChIKeyZABUNOXGSBIDGF-NSCUHMNNSA-N
MW299.35 g/mol
LogP4.13
Rot. Bonds3

About 2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine

2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine (PubChem CID 19812579) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine
PubChem CID19812579
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine
SMILESC/C=C/C1COC(c2ccc(-c3ccc(F)cc3)nc2)OC1
InChIInChI=1S/C18H18FNO2/c1-2-3-13-11-21-18(22-12-13)15-6-9-17(20-10-15)14-4-7-16(19)8-5-14/h2-10,13,18H,11-12H2,1H3/b3-2+
InChIKeyZABUNOXGSBIDGF-NSCUHMNNSA-N
XLogP4.13
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine (CID 19812579) is 2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine is C/C=C/C1COC(c2ccc(-c3ccc(F)cc3)nc2)OC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine?
The InChIKey is ZABUNOXGSBIDGF-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-2-3-13-11-21-18(22-12-13)15-6-9-17(20-10-15)14-4-7-16(19)8-5-14/h2-10,13,18H,11-12H2,1H3/b3-2+.
What are the key properties of 2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine?
2-(4-fluorophenyl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine has a molecular weight of 299.35 g/mol, XLogP of 4.13, 3 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-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]pyridine is sourced from PubChem (CID 19812579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).