dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate

C22H15Cl2NO5 — CID 135067934

IUPACdimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2Cl)nc(C(=O)c2ccccc2Cl)c1C(=O)OC
InChIInChI=1S/C22H15Cl2NO5/c1-29-21(27)14-11-17(12-7-3-5-9-15(12)23)25-19(18(14)22(28)30-2)20(26)13-8-4-6-10-16(13)24/h3-11H,1-2H3
InChIKeyLOOZLWPMBMGHJH-UHFFFAOYSA-N
MW444.27 g/mol
LogP4.86
Rot. Bonds5

About dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate

dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate (PubChem CID 135067934) has the molecular formula C22H15Cl2NO5 and a molecular weight of 444.27 g/mol. Its IUPAC name is dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate
PubChem CID135067934
Molecular FormulaC22H15Cl2NO5
Molecular Weight444.27 g/mol
Exact Mass443.03
IUPAC Namedimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2Cl)nc(C(=O)c2ccccc2Cl)c1C(=O)OC
InChIInChI=1S/C22H15Cl2NO5/c1-29-21(27)14-11-17(12-7-3-5-9-15(12)23)25-19(18(14)22(28)30-2)20(26)13-8-4-6-10-16(13)24/h3-11H,1-2H3
InChIKeyLOOZLWPMBMGHJH-UHFFFAOYSA-N
XLogP4.86
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate (CID 135067934) is dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate is COC(=O)c1cc(-c2ccccc2Cl)nc(C(=O)c2ccccc2Cl)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate?
The InChIKey is LOOZLWPMBMGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO5/c1-29-21(27)14-11-17(12-7-3-5-9-15(12)23)25-19(18(14)22(28)30-2)20(26)13-8-4-6-10-16(13)24/h3-11H,1-2H3.
What are the key properties of dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate?
dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate has a molecular weight of 444.27 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate is sourced from PubChem (CID 135067934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).