5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C13H9ClF3NO — CID 16654106

IUPAC5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccc(Cl)cn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NO/c14-11-4-5-12(19)18(8-11)7-9-2-1-3-10(6-9)13(15,16)17/h1-6,8H,7H2
InChIKeyKEFAVUZDEGPTAK-UHFFFAOYSA-N
MW287.67 g/mol
LogP3.57
Rot. Bonds2

About 5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 16654106) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is 5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID16654106
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccc(Cl)cn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NO/c14-11-4-5-12(19)18(8-11)7-9-2-1-3-10(6-9)13(15,16)17/h1-6,8H,7H2
InChIKeyKEFAVUZDEGPTAK-UHFFFAOYSA-N
XLogP3.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-1,2-dihydropyridin-2-one
CID 244078
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
CID 2096931
3-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzonitrile
CID 2746452
5-chloro-1-(2-fluorobenzyl)-2(1H)-pyridinone
CID 901046
1-(2-chloro-6-fluorobenzyl)pyridin-2(1H)-one
CID 943457
N-methyl-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 1478472
N-methyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-1,6-dihydro-3-pyridinecarboxamide
CID 3736463
1-Benzyl-5-chloro-2-oxopyridine-3-carboxamide
CID 13442851
6-oxo-N-[3-(trifluoromethyl)benzyl]-1,6-dihydropyridine-3-carboxamide
CID 2108324
1-(3,4-Difluorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 2764874
1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 60188103

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 16654106) is 5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=c1ccc(Cl)cn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is KEFAVUZDEGPTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c14-11-4-5-12(19)18(8-11)7-9-2-1-3-10(6-9)13(15,16)17/h1-6,8H,7H2.
What are the key properties of 5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 287.67 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 16654106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).