6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C12H7F3N2O3 — CID 106515706

IUPAC6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cccc([N+](=O)[O-])c2)[nH]1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)8-5-10(16-11(18)6-8)7-2-1-3-9(4-7)17(19)20/h1-6H,(H,16,18)
InChIKeySUJSJRZBFDUAIU-UHFFFAOYSA-N
MW284.19 g/mol
LogP2.97
Rot. Bonds2

About 6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106515706) has the molecular formula C12H7F3N2O3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106515706
Molecular FormulaC12H7F3N2O3
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cccc([N+](=O)[O-])c2)[nH]1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)8-5-10(16-11(18)6-8)7-2-1-3-9(4-7)17(19)20/h1-6H,(H,16,18)
InChIKeySUJSJRZBFDUAIU-UHFFFAOYSA-N
XLogP2.97
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 54368698
1,3-bis(3-nitrophenyl)-5-[3-(trifluoromethyl)phenyl]benzene
CID 141365870
6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516941
6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519859
6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
4-(3-nitrophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91926987
2-methyl-3-nitro-5-[3-(trifluoromethyl)phenyl]-1H-pyrrole
CID 174962946
6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106513664
5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole
CID 102369150
5-(3-nitrophenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one
CID 54185346
ethyl 2-(3-nitrophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate
CID 170695547
6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516207

Frequently Asked Questions

What is the IUPAC name of 6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106515706) is 6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2cccc([N+](=O)[O-])c2)[nH]1.
What is the InChIKey of 6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SUJSJRZBFDUAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O3/c13-12(14,15)8-5-10(16-11(18)6-8)7-2-1-3-9(4-7)17(19)20/h1-6H,(H,16,18).
What are the key properties of 6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 284.19 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106515706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).