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

C24H18Cl3NO3 — CID 59785891

IUPACmethyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate
SMILESCOC(=O)C1=CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H18Cl3NO3/c1-24(2)12-19(23(29)30-3)18-11-17(13-4-6-14(25)7-5-13)21(28-22(18)31-24)16-9-8-15(26)10-20(16)27/h4-12H,1-3H3
InChIKeyQTNVRTBCWYUOGE-UHFFFAOYSA-N
MW474.77 g/mol
LogP7.10
Rot. Bonds3

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

methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate (PubChem CID 59785891) has the molecular formula C24H18Cl3NO3 and a molecular weight of 474.77 g/mol. Its IUPAC name is methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate
PubChem CID59785891
Molecular FormulaC24H18Cl3NO3
Molecular Weight474.77 g/mol
Exact Mass473.04
IUPAC Namemethyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate
SMILESCOC(=O)C1=CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H18Cl3NO3/c1-24(2)12-19(23(29)30-3)18-11-17(13-4-6-14(25)7-5-13)21(28-22(18)31-24)16-9-8-15(26)10-20(16)27/h4-12H,1-3H3
InChIKeyQTNVRTBCWYUOGE-UHFFFAOYSA-N
XLogP7.10
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.77
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate (CID 59785891) is methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate is COC(=O)C1=CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate?
The InChIKey is QTNVRTBCWYUOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3NO3/c1-24(2)12-19(23(29)30-3)18-11-17(13-4-6-14(25)7-5-13)21(28-22(18)31-24)16-9-8-15(26)10-20(16)27/h4-12H,1-3H3.
What are the key properties of methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate?
methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate has a molecular weight of 474.77 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate is sourced from PubChem (CID 59785891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).