3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine

C13H10Br3NO2 — CID 105368353

IUPAC3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
SMILESCOc1cc(Br)c(Oc2ncc(C)cc2Br)cc1Br
InChIInChI=1S/C13H10Br3NO2/c1-7-3-10(16)13(17-6-7)19-12-5-8(14)11(18-2)4-9(12)15/h3-6H,1-2H3
InChIKeyGAZCTMDFGAXLGM-UHFFFAOYSA-N
MW451.94 g/mol
LogP5.48
Rot. Bonds3

About 3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine

3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine (PubChem CID 105368353) has the molecular formula C13H10Br3NO2 and a molecular weight of 451.94 g/mol. Its IUPAC name is 3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
PubChem CID105368353
Molecular FormulaC13H10Br3NO2
Molecular Weight451.94 g/mol
Exact Mass448.83
IUPAC Name3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
SMILESCOc1cc(Br)c(Oc2ncc(C)cc2Br)cc1Br
InChIInChI=1S/C13H10Br3NO2/c1-7-3-10(16)13(17-6-7)19-12-5-8(14)11(18-2)4-9(12)15/h3-6H,1-2H3
InChIKeyGAZCTMDFGAXLGM-UHFFFAOYSA-N
XLogP5.48
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.94
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline
CID 103201979
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
CID 105367213
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenol
CID 105367477
3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline
CID 105367219
3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine
CID 105368244
3-bromo-2-(4-fluorophenoxy)-5-methylpyridine
CID 105368202
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 83269021
5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid
CID 107730186
1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 79406807
3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine
CID 105368266
2-[2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107713700

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine?
The IUPAC name of 3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine (CID 105368353) is 3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine is COc1cc(Br)c(Oc2ncc(C)cc2Br)cc1Br.
What is the InChIKey of 3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine?
The InChIKey is GAZCTMDFGAXLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br3NO2/c1-7-3-10(16)13(17-6-7)19-12-5-8(14)11(18-2)4-9(12)15/h3-6H,1-2H3.
What are the key properties of 3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine?
3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine has a molecular weight of 451.94 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine is sourced from PubChem (CID 105368353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).