6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C12H6F5NO — CID 106516941

IUPAC6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C12H6F5NO/c13-8-2-1-6(3-9(8)14)10-4-7(12(15,16)17)5-11(19)18-10/h1-5H,(H,18,19)
InChIKeyAVCCKWRQQAKAHY-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.34
Rot. Bonds1

About 6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106516941) has the molecular formula C12H6F5NO and a molecular weight of 275.18 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106516941
Molecular FormulaC12H6F5NO
Molecular Weight275.18 g/mol
Exact Mass275.04
IUPAC Name6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C12H6F5NO/c13-8-2-1-6(3-9(8)14)10-4-7(12(15,16)17)5-11(19)18-10/h1-5H,(H,18,19)
InChIKeyAVCCKWRQQAKAHY-UHFFFAOYSA-N
XLogP3.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-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

6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
6-(2,5-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517237
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516381
6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106513664
6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515706
6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516207
6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515766
6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519859
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 122358380
2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63613424

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106516941) is 6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2ccc(F)c(F)c2)[nH]1.
What is the InChIKey of 6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is AVCCKWRQQAKAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5NO/c13-8-2-1-6(3-9(8)14)10-4-7(12(15,16)17)5-11(19)18-10/h1-5H,(H,18,19).
What are the key properties of 6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 275.18 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106516941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).