2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one

C12H7ClF3NO — CID 134565966

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C12H7ClF3NO/c13-11-8(10-6-7(18)4-5-17-10)2-1-3-9(11)12(14,15)16/h1-6H,(H,17,18)
InChIKeyBAAQKRURFNVEDR-UHFFFAOYSA-N
MW273.64 g/mol
LogP3.71
Rot. Bonds1

About 2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one

2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one (PubChem CID 134565966) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one
PubChem CID134565966
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C12H7ClF3NO/c13-11-8(10-6-7(18)4-5-17-10)2-1-3-9(11)12(14,15)16/h1-6H,(H,17,18)
InChIKeyBAAQKRURFNVEDR-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

3-chloro-5-[6-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847737
2-(4-chloro-3-fluorophenyl)-1H-pyridin-4-one
CID 58134347
2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one
CID 69093077
2-[2-Chloro-3-(trifluoromethyl)phenyl]-1,4-dihydropyridine
CID 70049402
2-(2-Chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one
CID 134565207
1-Benzyl-5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
CID 134565227
2-[2-Chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one
CID 134565232
2-[2-Chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one
CID 134565235
3-[[5-Amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-4-oxopyridin-1-yl]methyl]benzonitrile
CID 134565236
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
CID 134565237
5-Acetyl-1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
CID 134565240
3-[[2-[2-Chloro-3-(trifluoromethyl)phenyl]-4-oxopyridin-1-yl]methyl]benzonitrile
CID 134565244

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one (CID 134565966) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one is O=c1cc[nH]c(-c2cccc(C(F)(F)F)c2Cl)c1.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The InChIKey is BAAQKRURFNVEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-11-8(10-6-7(18)4-5-17-10)2-1-3-9(11)12(14,15)16/h1-6H,(H,17,18).
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-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 2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 134565966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).