2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one

C18H14FNO — CID 167906301

IUPAC2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one
SMILESO=c1cc(-c2ccccc2Cc2ccccc2)[nH]cc1F
InChIInChI=1S/C18H14FNO/c19-16-12-20-17(11-18(16)21)15-9-5-4-8-14(15)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,20,21)
InChIKeyMBWPEZPHZWYRQH-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.77
Rot. Bonds3

About 2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one

2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one (PubChem CID 167906301) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one
PubChem CID167906301
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one
SMILESO=c1cc(-c2ccccc2Cc2ccccc2)[nH]cc1F
InChIInChI=1S/C18H14FNO/c19-16-12-20-17(11-18(16)21)15-9-5-4-8-14(15)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,20,21)
InChIKeyMBWPEZPHZWYRQH-UHFFFAOYSA-N
XLogP3.77
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one?
The IUPAC name of 2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one (CID 167906301) is 2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one?
The canonical SMILES for 2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one is O=c1cc(-c2ccccc2Cc2ccccc2)[nH]cc1F.
What is the InChIKey of 2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one?
The InChIKey is MBWPEZPHZWYRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c19-16-12-20-17(11-18(16)21)15-9-5-4-8-14(15)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,20,21).
What are the key properties of 2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one?
2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one has a molecular weight of 279.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 167906301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).