5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine

C18H20FN — CID 144902233

IUPAC5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine
SMILESCCC/C=C(/c1ccc(C)nc1)c1ccc(F)cc1C
InChIInChI=1S/C18H20FN/c1-4-5-6-18(15-8-7-14(3)20-12-15)17-10-9-16(19)11-13(17)2/h6-12H,4-5H2,1-3H3/b18-6-
InChIKeySGEQXJIXMUFASZ-FXBPXSCXSA-N
MW269.36 g/mol
LogP5.07
Rot. Bonds4

About 5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine

5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine (PubChem CID 144902233) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine
PubChem CID144902233
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine
SMILESCCC/C=C(/c1ccc(C)nc1)c1ccc(F)cc1C
InChIInChI=1S/C18H20FN/c1-4-5-6-18(15-8-7-14(3)20-12-15)17-10-9-16(19)11-13(17)2/h6-12H,4-5H2,1-3H3/b18-6-
InChIKeySGEQXJIXMUFASZ-FXBPXSCXSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.36
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine?
The IUPAC name of 5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine (CID 144902233) is 5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine.
What is the SMILES notation for 5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine?
The canonical SMILES for 5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine is CCC/C=C(/c1ccc(C)nc1)c1ccc(F)cc1C.
What is the InChIKey of 5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine?
The InChIKey is SGEQXJIXMUFASZ-FXBPXSCXSA-N. The full InChI is InChI=1S/C18H20FN/c1-4-5-6-18(15-8-7-14(3)20-12-15)17-10-9-16(19)11-13(17)2/h6-12H,4-5H2,1-3H3/b18-6-.
What are the key properties of 5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine?
5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine has a molecular weight of 269.36 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine is sourced from PubChem (CID 144902233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).