5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine

C11H6BrN3O5 — CID 61372882

IUPAC5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H6BrN3O5/c12-7-5-10(15(18)19)11(13-6-7)20-9-3-1-8(2-4-9)14(16)17/h1-6H
InChIKeyPGYYCMANZVDPRM-UHFFFAOYSA-N
MW340.09 g/mol
LogP3.45
Rot. Bonds4

About 5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine

5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine (PubChem CID 61372882) has the molecular formula C11H6BrN3O5 and a molecular weight of 340.09 g/mol. Its IUPAC name is 5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
PubChem CID61372882
Molecular FormulaC11H6BrN3O5
Molecular Weight340.09 g/mol
Exact Mass338.95
IUPAC Name5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H6BrN3O5/c12-7-5-10(15(18)19)11(13-6-7)20-9-3-1-8(2-4-9)14(16)17/h1-6H
InChIKeyPGYYCMANZVDPRM-UHFFFAOYSA-N
XLogP3.45
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.09
LogP ≤ 53.45
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

4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
CID 61229997
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine
CID 61374175
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
CID 82831572
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
CID 66279586
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
5-chloro-3-fluoro-2-(4-nitrophenoxy)pyridine
CID 79728734

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine?
The IUPAC name of 5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine (CID 61372882) is 5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine?
The canonical SMILES for 5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine is O=[N+]([O-])c1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine?
The InChIKey is PGYYCMANZVDPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O5/c12-7-5-10(15(18)19)11(13-6-7)20-9-3-1-8(2-4-9)14(16)17/h1-6H.
What are the key properties of 5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine?
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine has a molecular weight of 340.09 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine is sourced from PubChem (CID 61372882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).