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

C11H5Br2ClN2O3 — CID 103589278

IUPAC3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine
SMILESO=[N+]([O-])c1cc(Br)cc(Oc2ncc(Cl)cc2Br)c1
InChIInChI=1S/C11H5Br2ClN2O3/c12-6-1-8(16(17)18)4-9(2-6)19-11-10(13)3-7(14)5-15-11/h1-5H
InChIKeyABFPBFXBZRLOTJ-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.96
Rot. Bonds3

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

3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine (PubChem CID 103589278) has the molecular formula C11H5Br2ClN2O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine.

Molecular Properties

Compound Name3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine
PubChem CID103589278
Molecular FormulaC11H5Br2ClN2O3
Molecular Weight408.43 g/mol
Exact Mass405.84
IUPAC Name3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine
SMILESO=[N+]([O-])c1cc(Br)cc(Oc2ncc(Cl)cc2Br)c1
InChIInChI=1S/C11H5Br2ClN2O3/c12-6-1-8(16(17)18)4-9(2-6)19-11-10(13)3-7(14)5-15-11/h1-5H
InChIKeyABFPBFXBZRLOTJ-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

3-bromo-5-chloro-2-(3-nitrophenoxy)pyridine
CID 114837695
5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103589277
3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
CID 114837726
4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine
CID 103588576
5-[(3-bromo-5-chloro-2-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077846
1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene
CID 169336525
6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103589669
4-(3-bromo-5-nitrophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 103589686
3-bromo-2-(3-bromo-4-fluorophenoxy)-5-nitropyridine
CID 83235893
2-(3-bromo-5-nitrophenoxy)-6-chloropyridine
CID 103588560
1-bromo-3-(5-chloropentoxy)-5-nitrobenzene
CID 103588512
5-chloro-3-fluoro-2-(4-nitrophenoxy)pyridine
CID 79728734

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine?
The IUPAC name of 3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine (CID 103589278) is 3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine.
What is the SMILES notation for 3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine?
The canonical SMILES for 3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine is O=[N+]([O-])c1cc(Br)cc(Oc2ncc(Cl)cc2Br)c1.
What is the InChIKey of 3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine?
The InChIKey is ABFPBFXBZRLOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2ClN2O3/c12-6-1-8(16(17)18)4-9(2-6)19-11-10(13)3-7(14)5-15-11/h1-5H.
What are the key properties of 3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine?
3-bromo-2-(3-bromo-5-nitrophenoxy)-5-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 3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine is sourced from PubChem (CID 103589278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).