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

C22H20BrNO5 — CID 1294939

IUPACdimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc(Br)c1
InChIInChI=1S/C22H20BrNO5/c1-27-17-9-7-16(8-10-17)24-12-18(21(25)28-2)20(19(13-24)22(26)29-3)14-5-4-6-15(23)11-14/h4-13,20H,1-3H3
InChIKeyROJPXDCAORKZMQ-UHFFFAOYSA-N
MW458.31 g/mol
LogP4.18
Rot. Bonds5

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

dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 1294939) has the molecular formula C22H20BrNO5 and a molecular weight of 458.31 g/mol. Its IUPAC name is dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID1294939
Molecular FormulaC22H20BrNO5
Molecular Weight458.31 g/mol
Exact Mass457.05
IUPAC Namedimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc(Br)c1
InChIInChI=1S/C22H20BrNO5/c1-27-17-9-7-16(8-10-17)24-12-18(21(25)28-2)20(19(13-24)22(26)29-3)14-5-4-6-15(23)11-14/h4-13,20H,1-3H3
InChIKeyROJPXDCAORKZMQ-UHFFFAOYSA-N
XLogP4.18
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 4-(3-bromophenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1295301
diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 12574229
dimethyl 1-(3-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2949038
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
dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
CID 758715
dimethyl 4-(5-bromo-2-methoxyphenyl)-1-(3,4-difluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1313734
dimethyl 4-(3-bromophenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate
CID 1282999
methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 132543701
dimethyl 1-(3,4-difluorophenyl)-4-(2,5-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1313406
diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 3792591
dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 610953
dimethyl 4-(3-bromo-4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
CID 1094437

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 1294939) is dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc(Br)c1.
What is the InChIKey of dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is ROJPXDCAORKZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO5/c1-27-17-9-7-16(8-10-17)24-12-18(21(25)28-2)20(19(13-24)22(26)29-3)14-5-4-6-15(23)11-14/h4-13,20H,1-3H3.
What are the key properties of dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 458.31 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1294939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).