1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one

C14H11FN2O4 — CID 62101144

IUPAC1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one
SMILESO=C(Cc1ccc(F)cc1)Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C14H11FN2O4/c15-11-5-3-10(4-6-11)8-12(18)9-16-7-1-2-13(14(16)19)17(20)21/h1-7H,8-9H2
InChIKeyJBJPHEAXWOHJBP-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.71
Rot. Bonds5

About 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one

1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one (PubChem CID 62101144) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one
PubChem CID62101144
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one
SMILESO=C(Cc1ccc(F)cc1)Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C14H11FN2O4/c15-11-5-3-10(4-6-11)8-12(18)9-16-7-1-2-13(14(16)19)17(20)21/h1-7H,8-9H2
InChIKeyJBJPHEAXWOHJBP-UHFFFAOYSA-N
XLogP1.71
TPSA82.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
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

1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one
CID 55158413
1-[2-(furan-2-yl)-2-oxoethyl]-3-nitropyridin-2-one
CID 62101804
5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735055
1-[2-(aminomethyl)prop-2-enyl]-3-nitropyridin-2-one
CID 103072256
1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one
CID 55127329
N-[2-(difluoromethoxy)phenyl]-2-(3-nitro-2-oxo-1-pyridinyl)acetamide
CID 47091849
4-(3-nitro-2-oxo-1-pyridinyl)but-2-enoic acid
CID 76940851
methyl 4-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]benzoate
CID 71972031
1-(2-methylpropyl)-3-nitropyridin-2-one
CID 90225152
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-3-nitropyridin-2-one
CID 62102296
1-cyclopropyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazol-2-one
CID 80581320
3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 55035431

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one (CID 62101144) is 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one is O=C(Cc1ccc(F)cc1)Cn1cccc([N+](=O)[O-])c1=O.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one?
The InChIKey is JBJPHEAXWOHJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-11-5-3-10(4-6-11)8-12(18)9-16-7-1-2-13(14(16)19)17(20)21/h1-7H,8-9H2.
What are the key properties of 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one?
1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one has a molecular weight of 290.25 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one is sourced from PubChem (CID 62101144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).