3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one

C13H12FNO — CID 15171317

IUPAC3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccc(F)cc2)c(C)[nH]1
InChIInChI=1S/C13H12FNO/c1-8-7-12(16)13(9(2)15-8)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H,15,16)
InChIKeyNXBLMNUAHXGZMA-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.80
Rot. Bonds1

About 3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one

3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 15171317) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one
PubChem CID15171317
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccc(F)cc2)c(C)[nH]1
InChIInChI=1S/C13H12FNO/c1-8-7-12(16)13(9(2)15-8)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H,15,16)
InChIKeyNXBLMNUAHXGZMA-UHFFFAOYSA-N
XLogP2.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one
CID 70989962
2,6-dimethyl-3-pyridin-2-yl-1H-pyridin-4-one
CID 18946451
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one
CID 69347693
3-bromo-5-[4-[2-(2,4-difluorophenyl)ethyl]phenyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44528863
3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one
CID 67076323
5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one
CID 118316459
3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one
CID 81051110
3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 55277200
5-ethyl-6-(4-fluorophenyl)-3-methyl-1H-pyridin-2-one
CID 144545564
2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole
CID 11817591
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one (CID 15171317) is 3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one is Cc1cc(=O)c(-c2ccc(F)cc2)c(C)[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is NXBLMNUAHXGZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-8-7-12(16)13(9(2)15-8)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one?
3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 217.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 15171317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).