3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one

C11H5Cl3N2O3 — CID 133092307

IUPAC3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H5Cl3N2O3/c12-6-2-7(13)10(8(14)3-6)5-1-9(16(18)19)11(17)15-4-5/h1-4H,(H,15,17)
InChIKeyMRDJDAJOCRZJQF-UHFFFAOYSA-N
MW319.53 g/mol
LogP3.91
Rot. Bonds2

About 3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one

3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one (PubChem CID 133092307) has the molecular formula C11H5Cl3N2O3 and a molecular weight of 319.53 g/mol. Its IUPAC name is 3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one
PubChem CID133092307
Molecular FormulaC11H5Cl3N2O3
Molecular Weight319.53 g/mol
Exact Mass317.94
IUPAC Name3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H5Cl3N2O3/c12-6-2-7(13)10(8(14)3-6)5-1-9(16(18)19)11(17)15-4-5/h1-4H,(H,15,17)
InChIKeyMRDJDAJOCRZJQF-UHFFFAOYSA-N
XLogP3.91
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-nitro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092130
5,6-dichloro-3-nitro-1H-pyridin-2-one
CID 125483662
N,N-dimethyl-2-nitro-5-(2,4,6-trichlorophenyl)aniline
CID 70528761
1,3,5-trichloro-2-(2-chloro-6-nitrophenyl)benzene
CID 134621032
3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one
CID 133092901
3,5-bis(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092089
3-nitro-5-[(S)-trifluoromethylsulfinyl]-1H-pyridin-2-one
CID 124672283
4-chloro-2,6-dinitrophenolate
CID 36690453
3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde
CID 15033119
2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine
CID 119024598
5-(3-hydroxyprop-1-enyl)-3-nitro-1H-pyridin-2-one
CID 169453634
4-chloro-7-nitroisoindole-1,3-dione
CID 86197598

Frequently Asked Questions

What is the IUPAC name of 3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one (CID 133092307) is 3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one is O=c1[nH]cc(-c2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one?
The InChIKey is MRDJDAJOCRZJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N2O3/c12-6-2-7(13)10(8(14)3-6)5-1-9(16(18)19)11(17)15-4-5/h1-4H,(H,15,17).
What are the key properties of 3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one?
3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one has a molecular weight of 319.53 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 133092307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).