1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one

C12H6F4N2O4 — CID 19739590

IUPAC1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)(F)F)ccn1-c1cc([N+](=O)[O-])c(O)cc1F
InChIInChI=1S/C12H6F4N2O4/c13-7-4-10(19)9(18(21)22)5-8(7)17-2-1-6(3-11(17)20)12(14,15)16/h1-5,19H
InChIKeyVGKNZIREZAYOFN-UHFFFAOYSA-N
MW318.18 g/mol
LogP2.61
Rot. Bonds2

About 1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one

1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 19739590) has the molecular formula C12H6F4N2O4 and a molecular weight of 318.18 g/mol. Its IUPAC name is 1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one
PubChem CID19739590
Molecular FormulaC12H6F4N2O4
Molecular Weight318.18 g/mol
Exact Mass318.03
IUPAC Name1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)(F)F)ccn1-c1cc([N+](=O)[O-])c(O)cc1F
InChIInChI=1S/C12H6F4N2O4/c13-7-4-10(19)9(18(21)22)5-8(7)17-2-1-6(3-11(17)20)12(14,15)16/h1-5,19H
InChIKeyVGKNZIREZAYOFN-UHFFFAOYSA-N
XLogP2.61
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2,2,2-Trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 19428103
Aminobenzene, N-trifluoroacetyl-2-hydroxy-3,5-dinitro-
CID 5222967
4-hydroxy-3-nitro-N-(trifluoromethylcarbonyl)benzenamine
CID 18318131
3-(4-hydroxy-3-nitrophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 18427282
4-(1-N-trifluoroacetyl-4-piperazinyl)nitrophenol
CID 18783783
5-Chloro-3-(2-fluoro-4-hydroxy-5-nitrophenyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 19438639
1-(2-Fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one
CID 19739588
N-cyclopropyl-2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide
CID 57707423
1-(4-Hydroxy-3-nitrophenyl)-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 70286819
N-cyclopropyl-2,2,2-trifluoro-N-(4-hydroxy-3-nitrosophenyl)acetamide
CID 88270748
3,3,3-trifluoro-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 113341076
1-(3,5-Diamino-4-hydroxyphenyl)-3-hydroxy-5-(trifluoromethyl)pyridin-2-one
CID 123368871

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one (CID 19739590) is 1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one is O=c1cc(C(F)(F)F)ccn1-c1cc([N+](=O)[O-])c(O)cc1F.
What is the InChIKey of 1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is VGKNZIREZAYOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4N2O4/c13-7-4-10(19)9(18(21)22)5-8(7)17-2-1-6(3-11(17)20)12(14,15)16/h1-5,19H.
What are the key properties of 1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one?
1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 318.18 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 19739590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).