1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one

C9H6F3N3O — CID 25094296

IUPAC1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1-c1cnc[nH]1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)6-1-2-8(16)15(4-6)7-3-13-5-14-7/h1-5H,(H,13,14)
InChIKeyJGWJXHYXPFRWLD-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.58
Rot. Bonds1

About 1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one

1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 25094296) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID25094296
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1-c1cnc[nH]1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)6-1-2-8(16)15(4-6)7-3-13-5-14-7/h1-5H,(H,13,14)
InChIKeyJGWJXHYXPFRWLD-UHFFFAOYSA-N
XLogP1.58
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-imidazol-2-yl)-1,3-dimethyl-2(1h)-pyridinone
CID 134306034
N-(6-hydroxynicotinyl)-imidazole
CID 69980218
3-[3-(1H-imidazol-1-yl)propyl]-1-[2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl]urea
CID 47492766
5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyridin-2-one
CID 153629398
5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 172579039
N-[3-amino-2-[1-(difluoromethyl)imidazol-2-yl]prop-2-enyl]-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
CID 173829112
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide
CID 47019732
1-(4-imidazol-1-ylbutyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47491789
N-(1-imidazol-1-ylpropan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 53505419
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 60356216
N-(1H-imidazol-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63563115
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-N-prop-2-ynylpyridine-3-carboxamide
CID 84586043

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one (CID 25094296) is 1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1-c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is JGWJXHYXPFRWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)6-1-2-8(16)15(4-6)7-3-13-5-14-7/h1-5H,(H,13,14).
What are the key properties of 1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one?
1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 229.16 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 25094296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).