1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one

C13H8Cl2F3NO — CID 1483042

IUPAC1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c14-10-2-1-3-11(15)9(10)7-19-6-8(13(16,17)18)4-5-12(19)20/h1-6H,7H2
InChIKeyCEOYOMVEWKDWMR-UHFFFAOYSA-N
MW322.11 g/mol
LogP4.22
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 1483042) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID1483042
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c14-10-2-1-3-11(15)9(10)7-19-6-8(13(16,17)18)4-5-12(19)20/h1-6H,7H2
InChIKeyCEOYOMVEWKDWMR-UHFFFAOYSA-N
XLogP4.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-((2,4-Dichlorophenyl)methyl)-N-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764863
1-[(2-Chlorophenyl)methyl]-4-methylpyridin-2-one
CID 53627066
1-(2-Chlorobenzyl)-4-Hexylpyridin-2(1h)-One
CID 54765333
1-(2-Chloro-6-fluorobenzyl)-3-methyl-1,2-dihydropyridin-2-one
CID 2805343
(2,4-Dichloro-phenyl)-(3-trifluoromethyl-piperidin-1-yl)-methanone
CID 599579
5-chloro-1-(2-fluorobenzyl)-2(1H)-pyridinone
CID 901046
1-(2-chloro-6-fluorobenzyl)pyridin-2(1H)-one
CID 943457
N-(2,4-Dichloro-benzyl)-6-hydroxy-nicotinamide
CID 7545432
1-[(2,4-Dichlorophenyl)methyl]-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764876
1-(2,6-Dichlorobenzyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarboxamide
CID 3551766
5-(4-Chlorophenyl)-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 3768930
1-(2,4-dichlorobenzyl)-N,N-dimethyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 2764864

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 1483042) is 1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is CEOYOMVEWKDWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c14-10-2-1-3-11(15)9(10)7-19-6-8(13(16,17)18)4-5-12(19)20/h1-6H,7H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 322.11 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 1483042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).