5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one

C11H8F2N4O6 — CID 158439943

IUPAC5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one
SMILESCn1cc(F)cc([N+](=O)[O-])c1=O.O=c1[nH]cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5FN2O3.C5H3FN2O3/c1-8-3-4(7)2-5(6(8)10)9(11)12;6-3-1-4(8(10)11)5(9)7-2-3/h2-3H,1H3;1-2H,(H,7,9)
InChIKeyHCRQWTMNSRYZEE-UHFFFAOYSA-N
MW330.20 g/mol
LogP0.85
Rot. Bonds2

About 5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one

5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one (PubChem CID 158439943) has the molecular formula C11H8F2N4O6 and a molecular weight of 330.20 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one
PubChem CID158439943
Molecular FormulaC11H8F2N4O6
Molecular Weight330.20 g/mol
Exact Mass330.04
IUPAC Name5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one
SMILESCn1cc(F)cc([N+](=O)[O-])c1=O.O=c1[nH]cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5FN2O3.C5H3FN2O3/c1-8-3-4(7)2-5(6(8)10)9(11)12;6-3-1-4(8(10)11)5(9)7-2-3/h2-3H,1H3;1-2H,(H,7,9)
InChIKeyHCRQWTMNSRYZEE-UHFFFAOYSA-N
XLogP0.85
TPSA141.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one
CID 161171536
5-fluoro-3-nitro-1H-pyridin-2-one;(5-fluoro-3-nitro-2-pyridinyl) 4-methylbenzenesulfonate
CID 158863975
3-nitro-5-[(S)-trifluoromethylsulfinyl]-1H-pyridin-2-one
CID 124672283
ethane;3-methyl-5-nitro-1H-pyrimidine-2,4-dione
CID 170584721
5-(3-hydroxyprop-1-enyl)-3-nitro-1H-pyridin-2-one
CID 169453634
3-nitro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092130
3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092307
4-fluoro-5-nitro-1H-pyridin-2-one
CID 118833070
5-fluoro-1-methyl-2-oxopyridine-3-carbaldehyde
CID 58259434
1-(4,4-difluorocyclohexen-1-yl)-5-fluoro-3-nitropyridin-2-one
CID 170791467
5-methyl-7-nitro-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 165130537
2-(4-fluorophenyl)-4-nitro-1H-pyrazol-5-one
CID 141287326

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one (CID 158439943) is 5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one is Cn1cc(F)cc([N+](=O)[O-])c1=O.O=c1[nH]cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one?
The InChIKey is HCRQWTMNSRYZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O3.C5H3FN2O3/c1-8-3-4(7)2-5(6(8)10)9(11)12;6-3-1-4(8(10)11)5(9)7-2-3/h2-3H,1H3;1-2H,(H,7,9).
What are the key properties of 5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one?
5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one has a molecular weight of 330.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 158439943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).