5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine

C11H4Br2Cl2N2O3 — CID 107660117

IUPAC5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C11H4Br2Cl2N2O3/c12-5-1-9(17(18)19)11(16-4-5)20-10-3-7(14)6(13)2-8(10)15/h1-4H
InChIKeyLNRQNRQARNRLQP-UHFFFAOYSA-N
MW442.88 g/mol
LogP5.61
Rot. Bonds3

About 5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine

5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine (PubChem CID 107660117) has the molecular formula C11H4Br2Cl2N2O3 and a molecular weight of 442.88 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
PubChem CID107660117
Molecular FormulaC11H4Br2Cl2N2O3
Molecular Weight442.88 g/mol
Exact Mass439.80
IUPAC Name5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C11H4Br2Cl2N2O3/c12-5-1-9(17(18)19)11(16-4-5)20-10-3-7(14)6(13)2-8(10)15/h1-4H
InChIKeyLNRQNRQARNRLQP-UHFFFAOYSA-N
XLogP5.61
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.88
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-nitropyridine
CID 65430932
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
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-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine
CID 103583764
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine?
The IUPAC name of 5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine (CID 107660117) is 5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine is O=[N+]([O-])c1cc(Br)cnc1Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine?
The InChIKey is LNRQNRQARNRLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2Cl2N2O3/c12-5-1-9(17(18)19)11(16-4-5)20-10-3-7(14)6(13)2-8(10)15/h1-4H.
What are the key properties of 5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine?
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine has a molecular weight of 442.88 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine is sourced from PubChem (CID 107660117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).