6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one

C22H16Cl3NO2 — CID 24996234

IUPAC6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C22H16Cl3NO2/c1-22(2)11-19(27)17-10-16(12-3-5-13(23)6-4-12)20(26-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10H,11H2,1-2H3
InChIKeyUGBOIMKMOKBZCW-UHFFFAOYSA-N
MW432.73 g/mol
LogP7.12
Rot. Bonds2

About 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one

6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one (PubChem CID 24996234) has the molecular formula C22H16Cl3NO2 and a molecular weight of 432.73 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one
PubChem CID24996234
Molecular FormulaC22H16Cl3NO2
Molecular Weight432.73 g/mol
Exact Mass431.02
IUPAC Name6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C22H16Cl3NO2/c1-22(2)11-19(27)17-10-16(12-3-5-13(23)6-4-12)20(26-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10H,11H2,1-2H3
InChIKeyUGBOIMKMOKBZCW-UHFFFAOYSA-N
XLogP7.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.73
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-B]pyridine-4-carboxamide (enantiomeric mix)
CID 46891274
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-nicotinic acid methyl ester
CID 10127751
Methyl 2-(3,4-difluorobenzyloxy)-6-(2,4-dichlorophenyl)-5-(4-chlorophenyl)pyridine-3-carboxylate
CID 10128697
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-methyl-nicotinamide
CID 10151772
5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dichloro-phenyl)-N-propyl-nicotinamide
CID 10152740
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-methyl-nicotinamide
CID 10174842
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-nicotinamide
CID 10216983
5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dichloro-phenyl)-N-methyl-nicotinamide
CID 10239221
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-propyl-nicotinamide
CID 10289044
5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dichloro-phenyl)-nicotinic acid methyl ester
CID 10311368
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-ethyl-nicotinamide
CID 10311846
7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one
CID 24994351

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one (CID 24996234) is 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one is CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1.
What is the InChIKey of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
The InChIKey is UGBOIMKMOKBZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3NO2/c1-22(2)11-19(27)17-10-16(12-3-5-13(23)6-4-12)20(26-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10H,11H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one has a molecular weight of 432.73 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 24996234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).