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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Related Compounds

methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl 3-(2-chlorobenzoyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 70433022
dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate
CID 135067685
dimethyl 4-(2-chlorophenyl)-6-methylbenzene-1,3-dicarboxylate
CID 174705944
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
dimethyl cyclohepta[b]pyrrole-2,3-dicarboxylate
CID 15202117
methyl 2-(6-chloropyrazin-2-yl)benzoate
CID 162718783
methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
CID 30591047
methyl 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 174727553
methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 43445072
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
methyl 2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3468978

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).