6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one

C8H4ClF6NO2 — CID 134666875

IUPAC6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(CCl)c(OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H4ClF6NO2/c9-2-4-5(18-8(13,14)15)1-3(6(17)16-4)7(10,11)12/h1H,2H2,(H,16,17)
InChIKeyFDZKCLCFGJKNPB-UHFFFAOYSA-N
MW295.57 g/mol
LogP3.03
Rot. Bonds2

About 6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one

6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 134666875) has the molecular formula C8H4ClF6NO2 and a molecular weight of 295.57 g/mol. Its IUPAC name is 6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID134666875
Molecular FormulaC8H4ClF6NO2
Molecular Weight295.57 g/mol
Exact Mass294.98
IUPAC Name6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(CCl)c(OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H4ClF6NO2/c9-2-4-5(18-8(13,14)15)1-3(6(17)16-4)7(10,11)12/h1H,2H2,(H,16,17)
InChIKeyFDZKCLCFGJKNPB-UHFFFAOYSA-N
XLogP3.03
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(chloromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetonitrile
CID 118826793
methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134663085
2-(chloromethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118809858
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085050
2-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118849661
6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111759
2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118832470
6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 131614037
methyl 2-[5-methyl-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680985
methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134680790
2-[6-(chloromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 134667110
2-[5-(aminomethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 134666956

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one (CID 134666875) is 6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(CCl)c(OC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FDZKCLCFGJKNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF6NO2/c9-2-4-5(18-8(13,14)15)1-3(6(17)16-4)7(10,11)12/h1H,2H2,(H,16,17).
What are the key properties of 6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one?
6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 295.57 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 134666875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).