1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one

C14H14FNO2 — CID 113232235

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(Cn2ccc(C)cc2=O)cc1F
InChIInChI=1S/C14H14FNO2/c1-10-5-6-16(14(17)7-10)9-11-3-4-13(18-2)12(15)8-11/h3-8H,9H2,1-2H3
InChIKeyUFQRONBTGUDHKT-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.35
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one (PubChem CID 113232235) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one
PubChem CID113232235
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(Cn2ccc(C)cc2=O)cc1F
InChIInChI=1S/C14H14FNO2/c1-10-5-6-16(14(17)7-10)9-11-3-4-13(18-2)12(15)8-11/h3-8H,9H2,1-2H3
InChIKeyUFQRONBTGUDHKT-UHFFFAOYSA-N
XLogP2.35
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
CID 82480154
methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate
CID 103749426
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one
CID 62962293
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484402
1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962113
4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 115614090
1-[[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methylpyridin-2-one
CID 62963417
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
CID 95917526
ethyl 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrole-2-carboxylate
CID 105422122
1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine
CID 43308823
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017879
4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole
CID 103428306

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one (CID 113232235) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one is COc1ccc(Cn2ccc(C)cc2=O)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is UFQRONBTGUDHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-10-5-6-16(14(17)7-10)9-11-3-4-13(18-2)12(15)8-11/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one?
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 247.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 113232235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).