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

C24H24BrNO5 — CID 12574229

IUPACdiethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(Br)cc1
InChIInChI=1S/C24H24BrNO5/c1-4-30-23(27)20-14-26(18-10-12-19(29-3)13-11-18)15-21(24(28)31-5-2)22(20)16-6-8-17(25)9-7-16/h6-15,22H,4-5H2,1-3H3
InChIKeyNRUKDXJTJNQPAD-UHFFFAOYSA-N
MW486.36 g/mol
LogP4.96
Rot. Bonds7

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

diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 12574229) has the molecular formula C24H24BrNO5 and a molecular weight of 486.36 g/mol. Its IUPAC name is diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID12574229
Molecular FormulaC24H24BrNO5
Molecular Weight486.36 g/mol
Exact Mass485.08
IUPAC Namediethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(Br)cc1
InChIInChI=1S/C24H24BrNO5/c1-4-30-23(27)20-14-26(18-10-12-19(29-3)13-11-18)15-21(24(28)31-5-2)22(20)16-6-8-17(25)9-7-16/h6-15,22H,4-5H2,1-3H3
InChIKeyNRUKDXJTJNQPAD-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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Related Compounds

diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 3792591
diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 71653160
diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171479
dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1294939
diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
CID 2233361
diethyl 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 21373629
diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1256072
diethyl 6-amino-4-(4-bromophenyl)-5-cyano-1-(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
CID 137332329
5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate
CID 71723433
diethyl 4-[3-[[2-[2-[2-[3-[3,5-bis(ethoxycarbonyl)-1-(4-methoxyphenyl)-4H-pyridin-4-yl]anilino]-2-oxoethoxy]phenoxy]acetyl]amino]phenyl]-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 101440790
diethyl 4-(3,4-dichlorophenyl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1039509
dimethyl 1-(3-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2949038

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 12574229) is diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(Br)cc1.
What is the InChIKey of diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is NRUKDXJTJNQPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO5/c1-4-30-23(27)20-14-26(18-10-12-19(29-3)13-11-18)15-21(24(28)31-5-2)22(20)16-6-8-17(25)9-7-16/h6-15,22H,4-5H2,1-3H3.
What are the key properties of diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(4-bromophenyl)-1-(4-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-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 12574229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).