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

C12H7ClF3NO — CID 123431797

IUPAC3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1-c1ccccc1Cl
InChIInChI=1S/C12H7ClF3NO/c13-9-4-2-1-3-7(9)10-8(12(14,15)16)5-6-17-11(10)18/h1-6H,(H,17,18)
InChIKeyQYZCGSVTNOWXLL-UHFFFAOYSA-N
MW273.64 g/mol
LogP3.71
Rot. Bonds1

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

3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 123431797) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID123431797
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1-c1ccccc1Cl
InChIInChI=1S/C12H7ClF3NO/c13-9-4-2-1-3-7(9)10-8(12(14,15)16)5-6-17-11(10)18/h1-6H,(H,17,18)
InChIKeyQYZCGSVTNOWXLL-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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 123431797) is 3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]ccc(C(F)(F)F)c1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QYZCGSVTNOWXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-9-4-2-1-3-7(9)10-8(12(14,15)16)5-6-17-11(10)18/h1-6H,(H,17,18).
What are the key properties of 3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
3-(2-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 3-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 123431797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).