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

C21H15Cl2NO2 — CID 46890855

IUPAC7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESCC1CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C21H15Cl2NO2/c1-12-10-19(25)17-11-16(13-6-8-14(22)9-7-13)20(24-21(17)26-12)15-4-2-3-5-18(15)23/h2-9,11-12H,10H2,1H3
InChIKeyQSEBFWPMFWCVGA-UHFFFAOYSA-N
MW384.26 g/mol
LogP6.08
Rot. Bonds2

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

7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one (PubChem CID 46890855) has the molecular formula C21H15Cl2NO2 and a molecular weight of 384.26 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one
PubChem CID46890855
Molecular FormulaC21H15Cl2NO2
Molecular Weight384.26 g/mol
Exact Mass383.05
IUPAC Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESCC1CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C21H15Cl2NO2/c1-12-10-19(25)17-11-16(13-6-8-14(22)9-7-13)20(24-21(17)26-12)15-4-2-3-5-18(15)23/h2-9,11-12H,10H2,1H3
InChIKeyQSEBFWPMFWCVGA-UHFFFAOYSA-N
XLogP6.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.26
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one (CID 46890855) is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one is CC1CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1.
What is the InChIKey of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The InChIKey is QSEBFWPMFWCVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NO2/c1-12-10-19(25)17-11-16(13-6-8-14(22)9-7-13)20(24-21(17)26-12)15-4-2-3-5-18(15)23/h2-9,11-12H,10H2,1H3.
What are the key properties of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one has a molecular weight of 384.26 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 46890855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).