methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate

C13H11BrN2O4 — CID 106999530

IUPACmethyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncc(Br)c(OC)n2)cc1
InChIInChI=1S/C13H11BrN2O4/c1-18-11-10(14)7-15-13(16-11)20-9-5-3-8(4-6-9)12(17)19-2/h3-7H,1-2H3
InChIKeyZDWHLIIFPONPHK-UHFFFAOYSA-N
MW339.15 g/mol
LogP2.83
Rot. Bonds4

About methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate

methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate (PubChem CID 106999530) has the molecular formula C13H11BrN2O4 and a molecular weight of 339.15 g/mol. Its IUPAC name is methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate
PubChem CID106999530
Molecular FormulaC13H11BrN2O4
Molecular Weight339.15 g/mol
Exact Mass337.99
IUPAC Namemethyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncc(Br)c(OC)n2)cc1
InChIInChI=1S/C13H11BrN2O4/c1-18-11-10(14)7-15-13(16-11)20-9-5-3-8(4-6-9)12(17)19-2/h3-7H,1-2H3
InChIKeyZDWHLIIFPONPHK-UHFFFAOYSA-N
XLogP2.83
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine
CID 106999263
methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742835
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907
5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
5-bromo-2-(3-chloro-4-nitrophenoxy)-4-methoxypyrimidine
CID 106999309
methyl 3-chloro-4-(2,4-dimethoxypyrimidin-5-yl)benzoate
CID 67256583
3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline
CID 107387714
5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
CID 106999331
methyl 4-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]oxybenzoate
CID 23483452
formic acid;methyl 4-methoxybenzoate
CID 159779883

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate?
The IUPAC name of methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate (CID 106999530) is methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate?
The canonical SMILES for methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate is COC(=O)c1ccc(Oc2ncc(Br)c(OC)n2)cc1.
What is the InChIKey of methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate?
The InChIKey is ZDWHLIIFPONPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4/c1-18-11-10(14)7-15-13(16-11)20-9-5-3-8(4-6-9)12(17)19-2/h3-7H,1-2H3.
What are the key properties of methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate?
methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate has a molecular weight of 339.15 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate is sourced from PubChem (CID 106999530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).