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

C12H7ClF3NO — CID 106515591

IUPAC6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C12H7ClF3NO/c13-9-3-1-2-7(4-9)10-5-8(12(14,15)16)6-11(18)17-10/h1-6H,(H,17,18)
InChIKeyGAQBHBAQTXHXKM-UHFFFAOYSA-N
MW273.64 g/mol
LogP3.71
Rot. Bonds1

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

6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106515591) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106515591
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C12H7ClF3NO/c13-9-3-1-2-7(4-9)10-5-8(12(14,15)16)6-11(18)17-10/h1-6H,(H,17,18)
InChIKeyGAQBHBAQTXHXKM-UHFFFAOYSA-N
XLogP3.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.64
LogP ≤ 53.71
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
1-(3-Chlorobenzyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarboxamide
CID 3849988
6-(3-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1477184
4-amino-6-[(E)-2-(3-chlorophenyl)ethenyl]-1H-pyridin-2-one
CID 145988332
1-(3-chlorobenzyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 49822130
4-(2-Chlorophenyl)-5-methylidenepyrrol-2-one
CID 90329701
4-(3-Chlorophenyl)-5-methylidenepyrrol-2-one
CID 90329703
4-(4-Chlorophenyl)-5-methylidenepyrrol-2-one
CID 90329704
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106515591) is 6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2cccc(Cl)c2)[nH]1.
What is the InChIKey of 6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GAQBHBAQTXHXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-9-3-1-2-7(4-9)10-5-8(12(14,15)16)6-11(18)17-10/h1-6H,(H,17,18).
What are the key properties of 6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 273.64 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106515591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).