2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one

C24H21Cl2NO2 — CID 24996238

IUPAC2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESCC(C)(C)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C24H21Cl2NO2/c1-24(2,3)21-13-20(28)18-12-17(14-8-10-15(25)11-9-14)22(27-23(18)29-21)16-6-4-5-7-19(16)26/h4-12,21H,13H2,1-3H3
InChIKeyQVZCMVDSTYUQDH-UHFFFAOYSA-N
MW426.34 g/mol
LogP7.10
Rot. Bonds2

About 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one

2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one (PubChem CID 24996238) has the molecular formula C24H21Cl2NO2 and a molecular weight of 426.34 g/mol. Its IUPAC name is 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
PubChem CID24996238
Molecular FormulaC24H21Cl2NO2
Molecular Weight426.34 g/mol
Exact Mass425.09
IUPAC Name2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESCC(C)(C)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C24H21Cl2NO2/c1-24(2,3)21-13-20(28)18-12-17(14-8-10-15(25)11-9-14)22(27-23(18)29-21)16-6-4-5-7-19(16)26/h4-12,21H,13H2,1-3H3
InChIKeyQVZCMVDSTYUQDH-UHFFFAOYSA-N
XLogP7.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.34
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one
CID 24994351
7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one
CID 24994664
7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,4'-thiane]-4-one
CID 24994665

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The IUPAC name of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one (CID 24996238) is 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one is CC(C)(C)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1.
What is the InChIKey of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The InChIKey is QVZCMVDSTYUQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO2/c1-24(2,3)21-13-20(28)18-12-17(14-8-10-15(25)11-9-14)22(27-23(18)29-21)16-6-4-5-7-19(16)26/h4-12,21H,13H2,1-3H3.
What are the key properties of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one has a molecular weight of 426.34 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 24996238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).