dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

C15H13Cl2NO4 — CID 607323

IUPACdimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO4/c1-21-14(19)9-6-18-7-10(15(20)22-2)13(9)8-3-4-11(16)12(17)5-8/h3-7,13,18H,1-2H3
InChIKeyFTUDAMYKRYOOIG-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.79
Rot. Bonds3

About dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 607323) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID607323
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Namedimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO4/c1-21-14(19)9-6-18-7-10(15(20)22-2)13(9)8-3-4-11(16)12(17)5-8/h3-7,13,18H,1-2H3
InChIKeyFTUDAMYKRYOOIG-UHFFFAOYSA-N
XLogP2.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Dimethyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3378865
Dimethyl 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 982624
Dimethyl 4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 299857
Dimethyl 4-(2-chlorophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 610962
4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
CID 2052604
3,5-Bis(prop-2-en-1-yl) 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 5075000
Dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 715615
Diethyl 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 982640
Felodipine Impurity 31
CID 4315934
methyl 4-(2,3-dichlorophenyl)-6-(methylamino)-3-oxo-4,7-dihydro-1H-2-benzofuran-5-carboxylate
CID 44388783
4-(3,4-dichlorophenyl)-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid
CID 70687954
Dimethyl 4-(2,3-dichlorophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 1364940

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 607323) is dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is FTUDAMYKRYOOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-21-14(19)9-6-18-7-10(15(20)22-2)13(9)8-3-4-11(16)12(17)5-8/h3-7,13,18H,1-2H3.
What are the key properties of dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 342.18 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 607323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).