5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine

C11H5Br2N3O5 — CID 65430932

IUPAC5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)ccc1Oc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H5Br2N3O5/c12-6-1-2-10(8(3-6)15(17)18)21-11-9(16(19)20)4-7(13)5-14-11/h1-5H
InChIKeyJPPMPHLGEOKMOZ-UHFFFAOYSA-N
MW418.99 g/mol
LogP4.22
Rot. Bonds4

About 5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine

5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine (PubChem CID 65430932) has the molecular formula C11H5Br2N3O5 and a molecular weight of 418.99 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
PubChem CID65430932
Molecular FormulaC11H5Br2N3O5
Molecular Weight418.99 g/mol
Exact Mass416.86
IUPAC Name5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)ccc1Oc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H5Br2N3O5/c12-6-1-2-10(8(3-6)15(17)18)21-11-9(16(19)20)4-7(13)5-14-11/h1-5H
InChIKeyJPPMPHLGEOKMOZ-UHFFFAOYSA-N
XLogP4.22
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103175419
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671
5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
CID 107667629
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
CID 61229997
5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
CID 166176140
6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80862579

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine?
The IUPAC name of 5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine (CID 65430932) is 5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine is O=[N+]([O-])c1cc(Br)ccc1Oc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine?
The InChIKey is JPPMPHLGEOKMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2N3O5/c12-6-1-2-10(8(3-6)15(17)18)21-11-9(16(19)20)4-7(13)5-14-11/h1-5H.
What are the key properties of 5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine?
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine has a molecular weight of 418.99 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine is sourced from PubChem (CID 65430932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).