3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione

C17H11Cl2NO2 — CID 14293688

IUPAC3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione
SMILESO=C1C=C(c2ccc(Cl)cc2)C(c2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C17H11Cl2NO2/c18-12-6-4-10(5-7-12)14-9-15(21)20-17(22)16(14)11-2-1-3-13(19)8-11/h1-9,16H,(H,20,21,22)
InChIKeyUIGIMQNGXSCMCW-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.82
Rot. Bonds2

About 3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione

3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione (PubChem CID 14293688) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione
PubChem CID14293688
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione
SMILESO=C1C=C(c2ccc(Cl)cc2)C(c2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C17H11Cl2NO2/c18-12-6-4-10(5-7-12)14-9-15(21)20-17(22)16(14)11-2-1-3-13(19)8-11/h1-9,16H,(H,20,21,22)
InChIKeyUIGIMQNGXSCMCW-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 22250345
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101
3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 79429755
4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
CID 79960805
(5S,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)oxan-2-one
CID 129153630
2-[3-(3-chlorophenyl)-2,4-dioxoazetidin-1-yl]acetic acid
CID 70623192
(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
CID 30122314
(3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 162648657
3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 625219
(3R)-3-(3-chlorophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404863
4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 102567371
4-(3-chlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320660

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione?
The IUPAC name of 3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione (CID 14293688) is 3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione?
The canonical SMILES for 3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione is O=C1C=C(c2ccc(Cl)cc2)C(c2cccc(Cl)c2)C(=O)N1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione?
The InChIKey is UIGIMQNGXSCMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c18-12-6-4-10(5-7-12)14-9-15(21)20-17(22)16(14)11-2-1-3-13(19)8-11/h1-9,16H,(H,20,21,22).
What are the key properties of 3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione?
3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione has a molecular weight of 332.19 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione is sourced from PubChem (CID 14293688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).