3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one

C11H8Cl2N2O3 — CID 169438246

IUPAC3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one
SMILESO=C1C(Cl)=CC(Cl)CN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8Cl2N2O3/c12-7-5-10(13)11(16)14(6-7)8-1-3-9(4-2-8)15(17)18/h1-5,7H,6H2
InChIKeyIMVDSZYSZRXYQM-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.67
Rot. Bonds2

About 3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one

3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one (PubChem CID 169438246) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one
PubChem CID169438246
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Name3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one
SMILESO=C1C(Cl)=CC(Cl)CN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8Cl2N2O3/c12-7-5-10(13)11(16)14(6-7)8-1-3-9(4-2-8)15(17)18/h1-5,7H,6H2
InChIKeyIMVDSZYSZRXYQM-UHFFFAOYSA-N
XLogP2.67
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one (CID 169438246) is 3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one is O=C1C(Cl)=CC(Cl)CN1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one?
The InChIKey is IMVDSZYSZRXYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c12-7-5-10(13)11(16)14(6-7)8-1-3-9(4-2-8)15(17)18/h1-5,7H,6H2.
What are the key properties of 3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one?
3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one has a molecular weight of 287.10 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 169438246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).