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

C22H17Cl2NO2 — CID 24995912

IUPAC7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C22H17Cl2NO2/c1-22(2)12-19(26)17-11-16(13-7-9-14(23)10-8-13)20(25-21(17)27-22)15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3
InChIKeyVGGJZHQRPQJWBN-UHFFFAOYSA-N
MW398.29 g/mol
LogP6.47
Rot. Bonds2

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

7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one (PubChem CID 24995912) has the molecular formula C22H17Cl2NO2 and a molecular weight of 398.29 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one
PubChem CID24995912
Molecular FormulaC22H17Cl2NO2
Molecular Weight398.29 g/mol
Exact Mass397.06
IUPAC Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C22H17Cl2NO2/c1-22(2)12-19(26)17-11-16(13-7-9-14(23)10-8-13)20(25-21(17)27-22)15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3
InChIKeyVGGJZHQRPQJWBN-UHFFFAOYSA-N
XLogP6.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.29
LogP ≤ 56.47
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)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
The IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one (CID 24995912) is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one is CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1.
What is the InChIKey of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
The InChIKey is VGGJZHQRPQJWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO2/c1-22(2)12-19(26)17-11-16(13-7-9-14(23)10-8-13)20(25-21(17)27-22)15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3.
What are the key properties of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one has a molecular weight of 398.29 g/mol, XLogP of 6.47, 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)-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 24995912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).