2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine

C11H4BrCl3N2O3 — CID 102749806

IUPAC2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine
SMILESO=[N+]([O-])c1cccc(Oc2nc(Cl)c(Cl)cc2Cl)c1Br
InChIInChI=1S/C11H4BrCl3N2O3/c12-9-7(17(18)19)2-1-3-8(9)20-11-6(14)4-5(13)10(15)16-11/h1-4H
InChIKeyUPLSFRTXNRDXHH-UHFFFAOYSA-N
MW398.43 g/mol
LogP5.50
Rot. Bonds3

About 2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine

2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine (PubChem CID 102749806) has the molecular formula C11H4BrCl3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine.

Molecular Properties

Compound Name2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine
PubChem CID102749806
Molecular FormulaC11H4BrCl3N2O3
Molecular Weight398.43 g/mol
Exact Mass395.85
IUPAC Name2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine
SMILESO=[N+]([O-])c1cccc(Oc2nc(Cl)c(Cl)cc2Cl)c1Br
InChIInChI=1S/C11H4BrCl3N2O3/c12-9-7(17(18)19)2-1-3-8(9)20-11-6(14)4-5(13)10(15)16-11/h1-4H
InChIKeyUPLSFRTXNRDXHH-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': '2-halo_pyridine', '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

4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
CID 113497815
5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine
CID 103583764
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
CID 102749797
3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine
CID 113497819
3-nitro-4-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 102749640
2-N,4-N-bis(2-nitrophenyl)-6-[(3,5,6-trichloro-2-pyridinyl)oxy]-1,3,5-triazine-2,4-diamine
CID 15363627
4-bromo-2-(2-bromo-3-nitrophenoxy)benzonitrile
CID 114902541
3-(2-bromo-3-nitrophenoxy)-N'-hydroxypyridazine-4-carboximidamide
CID 136952046
5-(2-bromo-3-nitrophenoxy)-2-nitroaniline
CID 106752110
2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide
CID 114769397
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 102749646

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine?
The IUPAC name of 2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine (CID 102749806) is 2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine.
What is the SMILES notation for 2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine?
The canonical SMILES for 2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine is O=[N+]([O-])c1cccc(Oc2nc(Cl)c(Cl)cc2Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine?
The InChIKey is UPLSFRTXNRDXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrCl3N2O3/c12-9-7(17(18)19)2-1-3-8(9)20-11-6(14)4-5(13)10(15)16-11/h1-4H.
What are the key properties of 2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine?
2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine 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 2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine is sourced from PubChem (CID 102749806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).