5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine

C11H5Br3N2O3 — CID 62098836

IUPAC5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Br)c(Oc2ccc(Br)cn2)c(Br)c1
InChIInChI=1S/C11H5Br3N2O3/c12-6-1-2-10(15-5-6)19-11-8(13)3-7(16(17)18)4-9(11)14/h1-5H
InChIKeyOMFDERQMRFSYSL-UHFFFAOYSA-N
MW452.88 g/mol
LogP5.07
Rot. Bonds3

About 5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine

5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine (PubChem CID 62098836) has the molecular formula C11H5Br3N2O3 and a molecular weight of 452.88 g/mol. Its IUPAC name is 5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine
PubChem CID62098836
Molecular FormulaC11H5Br3N2O3
Molecular Weight452.88 g/mol
Exact Mass449.79
IUPAC Name5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Br)c(Oc2ccc(Br)cn2)c(Br)c1
InChIInChI=1S/C11H5Br3N2O3/c12-6-1-2-10(15-5-6)19-11-8(13)3-7(16(17)18)4-9(11)14/h1-5H
InChIKeyOMFDERQMRFSYSL-UHFFFAOYSA-N
XLogP5.07
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.88
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 63587249
5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine
CID 61374554
6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62253740
4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine
CID 80740183
2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine
CID 79633381
[6-(3-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103589022
2-(2-bromo-4-fluorophenoxy)-5-nitropyridine
CID 24507910
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956
2-(2,6-dibromo-4-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545902
5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 103583685
[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103011231

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine?
The IUPAC name of 5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine (CID 62098836) is 5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine.
What is the SMILES notation for 5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine?
The canonical SMILES for 5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine is O=[N+]([O-])c1cc(Br)c(Oc2ccc(Br)cn2)c(Br)c1.
What is the InChIKey of 5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine?
The InChIKey is OMFDERQMRFSYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3N2O3/c12-6-1-2-10(15-5-6)19-11-8(13)3-7(16(17)18)4-9(11)14/h1-5H.
What are the key properties of 5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine?
5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine has a molecular weight of 452.88 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine is sourced from PubChem (CID 62098836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).