2-(4-fluorophenyl)-1-methylpyridin-4-one

C12H10FNO — CID 175852283

IUPAC2-(4-fluorophenyl)-1-methylpyridin-4-one
SMILESCn1ccc(=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO/c1-14-7-6-11(15)8-12(14)9-2-4-10(13)5-3-9/h2-8H,1H3
InChIKeyPQKZDHJEWLNTQR-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.19
Rot. Bonds1

About 2-(4-fluorophenyl)-1-methylpyridin-4-one

2-(4-fluorophenyl)-1-methylpyridin-4-one (PubChem CID 175852283) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methylpyridin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methylpyridin-4-one
PubChem CID175852283
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name2-(4-fluorophenyl)-1-methylpyridin-4-one
SMILESCn1ccc(=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO/c1-14-7-6-11(15)8-12(14)9-2-4-10(13)5-3-9/h2-8H,1H3
InChIKeyPQKZDHJEWLNTQR-UHFFFAOYSA-N
XLogP2.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-2-methyl-1-(phenylmethyl)-4(1H)-pyridinone
CID 9549917
1-Benzyl-1,2-dihydropyridin-2-one
CID 244078
1-Methyl-2,6-diphenylpyridin-4(1h)-one
CID 292247
1-benzyl-3-(cyclohexylmethyl)-2-methylpyridin-4(1H)-one
CID 44422548
1-benzyl-2,3-dihydropyridin-4(1H)-one
CID 13275577
(E)-4-(4-benzylpiperazino)-1,1,1-trifluoro-3-buten-2-one
CID 5940196
1-Methyl-6-phenylpyridin-2-one
CID 739288
1-Benzyl-5-hydroxy-2-methylpyridin-4-one
CID 123130720
1-benzylpyridin-4(1H)-one
CID 12237889
(E)-4-[benzyl(methyl)amino]-1,1,1-trifluoro-3-buten-2-one
CID 5898736
(E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one
CID 6183943
1-Benzyl-3-[(2,6-difluorophenyl)methyl]-2-methylpyridin-4-one
CID 44422625

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-methylpyridin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-1-methylpyridin-4-one (CID 175852283) is 2-(4-fluorophenyl)-1-methylpyridin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methylpyridin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-methylpyridin-4-one is Cn1ccc(=O)cc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-methylpyridin-4-one?
The InChIKey is PQKZDHJEWLNTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c1-14-7-6-11(15)8-12(14)9-2-4-10(13)5-3-9/h2-8H,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-methylpyridin-4-one?
2-(4-fluorophenyl)-1-methylpyridin-4-one has a molecular weight of 203.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methylpyridin-4-one is sourced from PubChem (CID 175852283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).