5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one

C18H20FNO2 — CID 19352544

IUPAC5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one
SMILESCC(O)CCC/C=C/c1ccc(-c2ccc(=O)[nH]c2)c(F)c1
InChIInChI=1S/C18H20FNO2/c1-13(21)5-3-2-4-6-14-7-9-16(17(19)11-14)15-8-10-18(22)20-12-15/h4,6-13,21H,2-3,5H2,1H3,(H,20,22)/b6-4+
InChIKeyFMFXMLDREPNTNA-GQCTYLIASA-N
MW301.36 g/mol
LogP3.75
Rot. Bonds6

About 5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one

5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one (PubChem CID 19352544) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one
PubChem CID19352544
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one
SMILESCC(O)CCC/C=C/c1ccc(-c2ccc(=O)[nH]c2)c(F)c1
InChIInChI=1S/C18H20FNO2/c1-13(21)5-3-2-4-6-14-7-9-16(17(19)11-14)15-8-10-18(22)20-12-15/h4,6-13,21H,2-3,5H2,1H3,(H,20,22)/b6-4+
InChIKeyFMFXMLDREPNTNA-GQCTYLIASA-N
XLogP3.75
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one (CID 19352544) is 5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one is CC(O)CCC/C=C/c1ccc(-c2ccc(=O)[nH]c2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one?
The InChIKey is FMFXMLDREPNTNA-GQCTYLIASA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13(21)5-3-2-4-6-14-7-9-16(17(19)11-14)15-8-10-18(22)20-12-15/h4,6-13,21H,2-3,5H2,1H3,(H,20,22)/b6-4+.
What are the key properties of 5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one?
5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one has a molecular weight of 301.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 19352544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).