diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate

C24H24BrNO5 — CID 71653160

IUPACdiethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccccc2OC)C=C(C(=O)OCC)C1c1ccc(Br)cc1
InChIInChI=1S/C24H24BrNO5/c1-4-30-23(27)18-14-26(20-8-6-7-9-21(20)29-3)15-19(24(28)31-5-2)22(18)16-10-12-17(25)13-11-16/h6-15,22H,4-5H2,1-3H3
InChIKeyPSEPRNSNQBJIOW-UHFFFAOYSA-N
MW486.36 g/mol
LogP4.96
Rot. Bonds7

About diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate

diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 71653160) has the molecular formula C24H24BrNO5 and a molecular weight of 486.36 g/mol. Its IUPAC name is diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID71653160
Molecular FormulaC24H24BrNO5
Molecular Weight486.36 g/mol
Exact Mass485.08
IUPAC Namediethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccccc2OC)C=C(C(=O)OCC)C1c1ccc(Br)cc1
InChIInChI=1S/C24H24BrNO5/c1-4-30-23(27)18-14-26(20-8-6-7-9-21(20)29-3)15-19(24(28)31-5-2)22(18)16-10-12-17(25)13-11-16/h6-15,22H,4-5H2,1-3H3
InChIKeyPSEPRNSNQBJIOW-UHFFFAOYSA-N
XLogP4.96
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 71653160) is diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(c2ccccc2OC)C=C(C(=O)OCC)C1c1ccc(Br)cc1.
What is the InChIKey of diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is PSEPRNSNQBJIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO5/c1-4-30-23(27)18-14-26(20-8-6-7-9-21(20)29-3)15-19(24(28)31-5-2)22(18)16-10-12-17(25)13-11-16/h6-15,22H,4-5H2,1-3H3.
What are the key properties of diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 486.36 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 71653160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).