methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate

C24H21Cl2NO3 — CID 67019992

IUPACmethyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate
SMILESCOC(=O)C1CC(C)(C)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H21Cl2NO3/c1-24(2)13-19(23(28)29-3)18-12-17(14-8-10-15(25)11-9-14)21(27-22(18)30-24)16-6-4-5-7-20(16)26/h4-12,19H,13H2,1-3H3
InChIKeyBDTUMDILFNKBBV-UHFFFAOYSA-N
MW442.34 g/mol
LogP6.54
Rot. Bonds3

About methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate

methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate (PubChem CID 67019992) has the molecular formula C24H21Cl2NO3 and a molecular weight of 442.34 g/mol. Its IUPAC name is methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate
PubChem CID67019992
Molecular FormulaC24H21Cl2NO3
Molecular Weight442.34 g/mol
Exact Mass441.09
IUPAC Namemethyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate
SMILESCOC(=O)C1CC(C)(C)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H21Cl2NO3/c1-24(2)13-19(23(28)29-3)18-12-17(14-8-10-15(25)11-9-14)21(27-22(18)30-24)16-6-4-5-7-20(16)26/h4-12,19H,13H2,1-3H3
InChIKeyBDTUMDILFNKBBV-UHFFFAOYSA-N
XLogP6.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.34
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate?
The IUPAC name of methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate (CID 67019992) is methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate is COC(=O)C1CC(C)(C)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate?
The InChIKey is BDTUMDILFNKBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO3/c1-24(2)13-19(23(28)29-3)18-12-17(14-8-10-15(25)11-9-14)21(27-22(18)30-24)16-6-4-5-7-20(16)26/h4-12,19H,13H2,1-3H3.
What are the key properties of methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate?
methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate has a molecular weight of 442.34 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate is sourced from PubChem (CID 67019992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).