3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one

C9H7ClF3NO2 — CID 8894290

IUPAC3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C9H7ClF3NO2/c1-5(15)3-14-4-6(9(11,12)13)2-7(10)8(14)16/h2,4H,3H2,1H3
InChIKeyHVVWUPYICWXBBR-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.11
Rot. Bonds2

About 3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one

3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 8894290) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is 3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID8894290
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Name3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C9H7ClF3NO2/c1-5(15)3-14-4-6(9(11,12)13)2-7(10)8(14)16/h2,4H,3H2,1H3
InChIKeyHVVWUPYICWXBBR-UHFFFAOYSA-N
XLogP2.11
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587466
N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 3966797
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2445579
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544
3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one
CID 56570581
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide
CID 2100498
1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one
CID 82144141
ethyl 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
CID 71606958
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 24566356
N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
CID 55304749
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 47015092

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one (CID 8894290) is 3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one is CC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is HVVWUPYICWXBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-5(15)3-14-4-6(9(11,12)13)2-7(10)8(14)16/h2,4H,3H2,1H3.
What are the key properties of 3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one?
3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 253.61 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 8894290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).