5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine

C11H4BrCl3N2O3 — CID 103583685

IUPAC5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Cl)c(Oc2ncc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C11H4BrCl3N2O3/c12-5-1-9(15)11(16-4-5)20-10-7(13)2-6(17(18)19)3-8(10)14/h1-4H
InChIKeyNDAWIRZNHSXPLY-UHFFFAOYSA-N
MW398.43 g/mol
LogP5.50
Rot. Bonds3

About 5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine

5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine (PubChem CID 103583685) has the molecular formula C11H4BrCl3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
PubChem CID103583685
Molecular FormulaC11H4BrCl3N2O3
Molecular Weight398.43 g/mol
Exact Mass395.85
IUPAC Name5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Cl)c(Oc2ncc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C11H4BrCl3N2O3/c12-5-1-9(15)11(16-4-5)20-10-7(13)2-6(17(18)19)3-8(10)14/h1-4H
InChIKeyNDAWIRZNHSXPLY-UHFFFAOYSA-N
XLogP5.50
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.50
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-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733335
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 102749646
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469
5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine
CID 103583764
5-bromo-3-chloro-2-nitropyridine
CID 131027901
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671
2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine
CID 79633381
[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80920125
2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine
CID 83269017
2-(3-bromo-4-fluorophenoxy)-1,3-dichloro-5-nitrobenzene
CID 106891272
2-(2-bromo-4-methoxyphenoxy)-1,3-dichloro-5-nitrobenzene
CID 106891273

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine?
The IUPAC name of 5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine (CID 103583685) is 5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine is O=[N+]([O-])c1cc(Cl)c(Oc2ncc(Br)cc2Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine?
The InChIKey is NDAWIRZNHSXPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrCl3N2O3/c12-5-1-9(15)11(16-4-5)20-10-7(13)2-6(17(18)19)3-8(10)14/h1-4H.
What are the key properties of 5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine?
5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine has a molecular weight of 398.43 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine is sourced from PubChem (CID 103583685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).