5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine

C11H5Br2ClN2O3 — CID 103583764

IUPAC5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine
SMILESO=[N+]([O-])c1cccc(Oc2ncc(Br)cc2Cl)c1Br
InChIInChI=1S/C11H5Br2ClN2O3/c12-6-4-7(14)11(15-5-6)19-9-3-1-2-8(10(9)13)16(17)18/h1-5H
InChIKeyHUIHMMYKVXMDCY-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.96
Rot. Bonds3

About 5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine

5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine (PubChem CID 103583764) has the molecular formula C11H5Br2ClN2O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine
PubChem CID103583764
Molecular FormulaC11H5Br2ClN2O3
Molecular Weight408.43 g/mol
Exact Mass405.84
IUPAC Name5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine
SMILESO=[N+]([O-])c1cccc(Oc2ncc(Br)cc2Cl)c1Br
InChIInChI=1S/C11H5Br2ClN2O3/c12-6-4-7(14)11(15-5-6)19-9-3-1-2-8(10(9)13)16(17)18/h1-5H
InChIKeyHUIHMMYKVXMDCY-UHFFFAOYSA-N
XLogP4.96
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.96
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-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
CID 113497815
2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine
CID 102749806
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117
5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
CID 103583765
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol
CID 103582945
2-[(3,5-dichloro-2-pyridinyl)oxy]-6-nitrobenzoic acid
CID 107342080
5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 103583685
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine
CID 113497819
4-bromo-2-(2-bromo-3-nitrophenoxy)benzonitrile
CID 114902541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine?
The IUPAC name of 5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine (CID 103583764) is 5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine.
What is the SMILES notation for 5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine?
The canonical SMILES for 5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine is O=[N+]([O-])c1cccc(Oc2ncc(Br)cc2Cl)c1Br.
What is the InChIKey of 5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine?
The InChIKey is HUIHMMYKVXMDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2ClN2O3/c12-6-4-7(14)11(15-5-6)19-9-3-1-2-8(10(9)13)16(17)18/h1-5H.
What are the key properties of 5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine?
5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine has a molecular weight of 408.43 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine is sourced from PubChem (CID 103583764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).