dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate

C24H21BrClNO5 — CID 19232775

IUPACdimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H21BrClNO5/c1-13-20(23(28)30-3)22(21(14(2)27-13)24(29)31-4)18-11-16(25)7-10-19(18)32-12-15-5-8-17(26)9-6-15/h5-11H,12H2,1-4H3
InChIKeyYKCGQLUTKIIIPI-UHFFFAOYSA-N
MW518.79 g/mol
LogP5.93
Rot. Bonds6

About dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate

dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 19232775) has the molecular formula C24H21BrClNO5 and a molecular weight of 518.79 g/mol. Its IUPAC name is dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID19232775
Molecular FormulaC24H21BrClNO5
Molecular Weight518.79 g/mol
Exact Mass517.03
IUPAC Namedimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H21BrClNO5/c1-13-20(23(28)30-3)22(21(14(2)27-13)24(29)31-4)18-11-16(25)7-10-19(18)32-12-15-5-8-17(26)9-6-15/h5-11H,12H2,1-4H3
InChIKeyYKCGQLUTKIIIPI-UHFFFAOYSA-N
XLogP5.93
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.79
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 4-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232686
diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232642
5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide
CID 91681758
ethyl 2-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786310
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
ethyl 5-[2-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylate
CID 58854356
6-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607106
dimethyl 3-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389010
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate
CID 107341908
methyl 6-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]pyridine-2-carboxylate
CID 58838316
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate (CID 19232775) is dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc(Br)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is YKCGQLUTKIIIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrClNO5/c1-13-20(23(28)30-3)22(21(14(2)27-13)24(29)31-4)18-11-16(25)7-10-19(18)32-12-15-5-8-17(26)9-6-15/h5-11H,12H2,1-4H3.
What are the key properties of dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 518.79 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 19232775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).