6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C12H6ClF4NO — CID 106521035

IUPAC6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C12H6ClF4NO/c13-8-3-6(1-2-9(8)14)10-4-7(12(15,16)17)5-11(19)18-10/h1-5H,(H,18,19)
InChIKeyBVDJQEHEYOOWCX-UHFFFAOYSA-N
MW291.63 g/mol
LogP3.85
Rot. Bonds1

About 6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106521035) has the molecular formula C12H6ClF4NO and a molecular weight of 291.63 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106521035
Molecular FormulaC12H6ClF4NO
Molecular Weight291.63 g/mol
Exact Mass291.01
IUPAC Name6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C12H6ClF4NO/c13-8-3-6(1-2-9(8)14)10-4-7(12(15,16)17)5-11(19)18-10/h1-5H,(H,18,19)
InChIKeyBVDJQEHEYOOWCX-UHFFFAOYSA-N
XLogP3.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.63
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-Chlorophenyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
CID 1477185
6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1477183
6-(3-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1477184
4-(3-Chlorophenyl)-5-methylidenepyrrol-2-one
CID 90329703
2(1H)-Pyridinone, 4-(4-chlorophenyl)-6-phenyl-
CID 724622
6-Phenyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 15326045
4-(4-chloro-phenyl)-6-trifluoromethyl-1H-pyridin-2-one
CID 57468634
6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82639647
4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 156597675
N-[(E)-1-(2-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide
CID 135071135
N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide
CID 135085974
N-(1-(4-Chlorophenyl)vinyl)acetamide
CID 11159894

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106521035) is 6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2ccc(F)c(Cl)c2)[nH]1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is BVDJQEHEYOOWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4NO/c13-8-3-6(1-2-9(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-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 291.63 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106521035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).