3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C13H9F3INO — CID 79785653

IUPAC3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1c(I)cccn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3INO/c14-13(15,16)10-5-3-9(4-6-10)8-18-7-1-2-11(17)12(18)19/h1-7H,8H2
InChIKeyHPQCFYFPDQBZBB-UHFFFAOYSA-N
MW379.12 g/mol
LogP3.52
Rot. Bonds2

About 3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 79785653) has the molecular formula C13H9F3INO and a molecular weight of 379.12 g/mol. Its IUPAC name is 3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID79785653
Molecular FormulaC13H9F3INO
Molecular Weight379.12 g/mol
Exact Mass378.97
IUPAC Name3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1c(I)cccn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3INO/c14-13(15,16)10-5-3-9(4-6-10)8-18-7-1-2-11(17)12(18)19/h1-7H,8H2
InChIKeyHPQCFYFPDQBZBB-UHFFFAOYSA-N
XLogP3.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-1,2-dihydropyridin-2-one
CID 244078
Nsc167484
CID 296919
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
1-Benzyl-4-hexylpyridin-2-one
CID 121493777
3-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzonitrile
CID 2746452
5-chloro-1-(2-fluorobenzyl)-2(1H)-pyridinone
CID 901046
N-methyl-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 3716222
1-(3,4-Difluorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 2764874
1-Methyl-6-phenylpyridin-2-one
CID 739288
N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 3811214
2-Oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 3829072
(E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27052314

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 79785653) is 3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=c1c(I)cccn1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is HPQCFYFPDQBZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3INO/c14-13(15,16)10-5-3-9(4-6-10)8-18-7-1-2-11(17)12(18)19/h1-7H,8H2.
What are the key properties of 3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 379.12 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 79785653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).