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

C12H6Cl2F3NO — CID 106514041

IUPAC6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C12H6Cl2F3NO/c13-8-3-1-2-7(11(8)14)9-4-6(12(15,16)17)5-10(19)18-9/h1-5H,(H,18,19)
InChIKeyXQVFMQKOIRLVOO-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.37
Rot. Bonds1

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

6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106514041) has the molecular formula C12H6Cl2F3NO and a molecular weight of 308.09 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106514041
Molecular FormulaC12H6Cl2F3NO
Molecular Weight308.09 g/mol
Exact Mass306.98
IUPAC Name6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C12H6Cl2F3NO/c13-8-3-1-2-7(11(8)14)9-4-6(12(15,16)17)5-10(19)18-9/h1-5H,(H,18,19)
InChIKeyXQVFMQKOIRLVOO-UHFFFAOYSA-N
XLogP4.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1477183
6-(3-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1477184
(E)-3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 127034449
N-[(E)-1-(2-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide
CID 135071135
N-[1-(2-Chlorophenyl)ethenyl]acetamide
CID 11957955
6-(4-chloro-phenyl)-4-trifluoromethyl-1H-pyridin-2-one
CID 11119266
3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 15346044
3-[(2,3-dichlorophenyl)methyl]-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
CID 54401209
N-[1-(2-chloro-6-fluorophenyl)ethenyl]acetamide
CID 57659810
3,5-dichloro-6-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 88670439
3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 88671086
N-[1-(2,3-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 140255602

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106514041) is 6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2cccc(Cl)c2Cl)[nH]1.
What is the InChIKey of 6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is XQVFMQKOIRLVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO/c13-8-3-1-2-7(11(8)14)9-4-6(12(15,16)17)5-10(19)18-9/h1-5H,(H,18,19).
What are the key properties of 6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 308.09 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106514041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).