5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one

C12H9FN2O3 — CID 90026137

IUPAC5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one
SMILESCn1cc(-c2cc([N+](=O)[O-])ccc2F)ccc1=O
InChIInChI=1S/C12H9FN2O3/c1-14-7-8(2-5-12(14)16)10-6-9(15(17)18)3-4-11(10)13/h2-7H,1H3
InChIKeyFWODLNJPILOFNB-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.10
Rot. Bonds2

About 5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one

5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one (PubChem CID 90026137) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one
PubChem CID90026137
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one
SMILESCn1cc(-c2cc([N+](=O)[O-])ccc2F)ccc1=O
InChIInChI=1S/C12H9FN2O3/c1-14-7-8(2-5-12(14)16)10-6-9(15(17)18)3-4-11(10)13/h2-7H,1H3
InChIKeyFWODLNJPILOFNB-UHFFFAOYSA-N
XLogP2.10
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.10
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-methyl-5-[5-nitro-2-(oxolan-3-yloxy)phenyl]pyridin-2-one
CID 90027043
4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one
CID 118137816
5-(2-fluoro-5-nitrophenyl)-3,4-diimino-1-methylpyridin-2-one
CID 134512278
5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole
CID 175582721
2-(2-fluoro-5-nitrophenyl)pyrimidine
CID 22473571
1-fluoro-2-(2-methylsulfanylphenyl)-4-nitrobenzene
CID 22285277
4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one
CID 118137932
2-(4-fluorophenyl)-4-nitroaniline
CID 139699338
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide
CID 61041820
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
2,3,3-trimethyl-6-nitroisoindol-1-one
CID 58289918

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one (CID 90026137) is 5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one is Cn1cc(-c2cc([N+](=O)[O-])ccc2F)ccc1=O.
What is the InChIKey of 5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one?
The InChIKey is FWODLNJPILOFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-14-7-8(2-5-12(14)16)10-6-9(15(17)18)3-4-11(10)13/h2-7H,1H3.
What are the key properties of 5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one?
5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one has a molecular weight of 248.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 90026137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).