3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one

C12H10N4O6 — CID 87770094

IUPAC3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one
SMILESCC(n1ccccc1=O)n1cc([N+](=O)[O-])cc([N+](=O)[O-])c1=O
InChIInChI=1S/C12H10N4O6/c1-8(13-5-3-2-4-11(13)17)14-7-9(15(19)20)6-10(12(14)18)16(21)22/h2-8H,1H3
InChIKeyFXRHOUVTXZHSTN-UHFFFAOYSA-N
MW306.23 g/mol
LogP0.89
Rot. Bonds4

About 3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one

3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one (PubChem CID 87770094) has the molecular formula C12H10N4O6 and a molecular weight of 306.23 g/mol. Its IUPAC name is 3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one
PubChem CID87770094
Molecular FormulaC12H10N4O6
Molecular Weight306.23 g/mol
Exact Mass306.06
IUPAC Name3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one
SMILESCC(n1ccccc1=O)n1cc([N+](=O)[O-])cc([N+](=O)[O-])c1=O
InChIInChI=1S/C12H10N4O6/c1-8(13-5-3-2-4-11(13)17)14-7-9(15(19)20)6-10(12(14)18)16(21)22/h2-8H,1H3
InChIKeyFXRHOUVTXZHSTN-UHFFFAOYSA-N
XLogP0.89
TPSA130.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-Dinitro-4H-quinolizin-4-one
CID 11333794
1,3-Diethyl-6-nitro-1h-imidazo[4,5-b]pyridine-2,5(3h,4h)-dione
CID 129757297
6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
CID 135043059
5-Nitro-1-[2-[4-oxo-3-(3,3,3-trifluoropropyl)imidazolidin-1-yl]ethyl]pyridin-2-one
CID 146076262
1,3-Dimethyl-6-[2-(dimethylamino)vinyl]-5-nitrouracil
CID 1083476
6-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
CID 1083477
1-Ethyl-3-nitro-1,2-dihydropyridin-2-one
CID 12389037
3-Nitro-1-(prop-2-en-1-yl)-1,2-dihydropyridin-2-one
CID 22405533
1-(6,9-Diacetyl-4,8-dinitro-2,6,9-triazabicyclo[3.3.1]nona-3,7-dien-2-yl)ethanone
CID 86304391
N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide
CID 87562880
1-Methyl-3,5-dinitropyridin-2-one;1-methylpyridin-2-one
CID 87770093
1-Tert-butyl-3-nitropyridin-2-one
CID 88148445

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one?
The IUPAC name of 3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one (CID 87770094) is 3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one.
What is the SMILES notation for 3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one?
The canonical SMILES for 3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one is CC(n1ccccc1=O)n1cc([N+](=O)[O-])cc([N+](=O)[O-])c1=O.
What is the InChIKey of 3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one?
The InChIKey is FXRHOUVTXZHSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O6/c1-8(13-5-3-2-4-11(13)17)14-7-9(15(19)20)6-10(12(14)18)16(21)22/h2-8H,1H3.
What are the key properties of 3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one?
3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one has a molecular weight of 306.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one is sourced from PubChem (CID 87770094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).