ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate

C24H19N3O2 — CID 102197724

IUPACethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
SMILESCCOC(=O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C24H19N3O2/c1-2-29-24(28)18-11-9-17(10-12-18)19-15-22(20-7-3-5-13-25-20)27-23(16-19)21-8-4-6-14-26-21/h3-16H,2H2,1H3
InChIKeyYTNCQXZFEYRBPU-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.05
Rot. Bonds5

About ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate

ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate (PubChem CID 102197724) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
PubChem CID102197724
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Nameethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
SMILESCCOC(=O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C24H19N3O2/c1-2-29-24(28)18-11-9-17(10-12-18)19-15-22(20-7-3-5-13-25-20)27-23(16-19)21-8-4-6-14-26-21/h3-16H,2H2,1H3
InChIKeyYTNCQXZFEYRBPU-UHFFFAOYSA-N
XLogP5.05
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[10,20-bis(4-ethoxycarbonylphenyl)-15-(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 136864019
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 6-[4-[4-[4-[2,6-bis(6-ethoxycarbonyl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]-6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate
CID 177391937
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate
CID 71714755
bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
CID 157164655
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
CID 102183000
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate?
The IUPAC name of ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate (CID 102197724) is ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate.
What is the SMILES notation for ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate?
The canonical SMILES for ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate is CCOC(=O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate?
The InChIKey is YTNCQXZFEYRBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-2-29-24(28)18-11-9-17(10-12-18)19-15-22(20-7-3-5-13-25-20)27-23(16-19)21-8-4-6-14-26-21/h3-16H,2H2,1H3.
What are the key properties of ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate?
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate has a molecular weight of 381.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate is sourced from PubChem (CID 102197724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).