1-(2-fluoro-4-nitrophenyl)pyridin-4-one

C11H7FN2O3 — CID 86185931

IUPAC1-(2-fluoro-4-nitrophenyl)pyridin-4-one
SMILESO=c1ccn(-c2ccc([N+](=O)[O-])cc2F)cc1
InChIInChI=1S/C11H7FN2O3/c12-10-7-8(14(16)17)1-2-11(10)13-5-3-9(15)4-6-13/h1-7H
InChIKeyVEXSAARYJQCRRL-UHFFFAOYSA-N
MW234.19 g/mol
LogP1.88
Rot. Bonds2

About 1-(2-fluoro-4-nitrophenyl)pyridin-4-one

1-(2-fluoro-4-nitrophenyl)pyridin-4-one (PubChem CID 86185931) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)pyridin-4-one
PubChem CID86185931
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name1-(2-fluoro-4-nitrophenyl)pyridin-4-one
SMILESO=c1ccn(-c2ccc([N+](=O)[O-])cc2F)cc1
InChIInChI=1S/C11H7FN2O3/c12-10-7-8(14(16)17)1-2-11(10)13-5-3-9(15)4-6-13/h1-7H
InChIKeyVEXSAARYJQCRRL-UHFFFAOYSA-N
XLogP1.88
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 3763781
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 63788071
ethane;1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 170749636
[1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol
CID 174455739
1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine
CID 141075149
2-(2-fluoro-4-nitrophenyl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322945
3-(2-fluoro-4-nitrophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615798
1-(2-fluoro-4-nitrophenyl)-5-methyl-1,2,4-triazole
CID 58414461
8-(2-fluoro-4-nitrophenyl)-3-thia-8-azabicyclo[3.2.1]octane
CID 126483766
1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 115947678

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)pyridin-4-one?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)pyridin-4-one (CID 86185931) is 1-(2-fluoro-4-nitrophenyl)pyridin-4-one.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)pyridin-4-one?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)pyridin-4-one is O=c1ccn(-c2ccc([N+](=O)[O-])cc2F)cc1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)pyridin-4-one?
The InChIKey is VEXSAARYJQCRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-10-7-8(14(16)17)1-2-11(10)13-5-3-9(15)4-6-13/h1-7H.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)pyridin-4-one?
1-(2-fluoro-4-nitrophenyl)pyridin-4-one has a molecular weight of 234.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)pyridin-4-one is sourced from PubChem (CID 86185931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).