3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine

C11H5Br2ClN2O3 — CID 79534868

IUPAC3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Oc2cc(Br)ccc2Cl)c(Br)c1
InChIInChI=1S/C11H5Br2ClN2O3/c12-6-1-2-9(14)10(3-6)19-11-8(13)4-7(5-15-11)16(17)18/h1-5H
InChIKeyDYMUOSNRTQFLKS-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.96
Rot. Bonds3

About 3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine

3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine (PubChem CID 79534868) has the molecular formula C11H5Br2ClN2O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine.

Molecular Properties

Compound Name3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine
PubChem CID79534868
Molecular FormulaC11H5Br2ClN2O3
Molecular Weight408.43 g/mol
Exact Mass405.84
IUPAC Name3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Oc2cc(Br)ccc2Cl)c(Br)c1
InChIInChI=1S/C11H5Br2ClN2O3/c12-6-1-2-9(14)10(3-6)19-11-8(13)4-7(5-15-11)16(17)18/h1-5H
InChIKeyDYMUOSNRTQFLKS-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'}

Analyze 3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469
5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine
CID 66318033
2-[(3-bromo-5-nitro-2-pyridinyl)oxy]-5-chlorobenzoic acid
CID 79531145
6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine
CID 80878552
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 113413889
3-bromo-2-(3-bromo-4-fluorophenoxy)-5-nitropyridine
CID 83235893
3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
CID 114837726
5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117
3-bromo-5-chloro-2-(3-nitrophenoxy)pyridine
CID 114837695
3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine
CID 103589278

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine?
The IUPAC name of 3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine (CID 79534868) is 3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine.
What is the SMILES notation for 3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine?
The canonical SMILES for 3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine is O=[N+]([O-])c1cnc(Oc2cc(Br)ccc2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine?
The InChIKey is DYMUOSNRTQFLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2ClN2O3/c12-6-1-2-9(14)10(3-6)19-11-8(13)4-7(5-15-11)16(17)18/h1-5H.
What are the key properties of 3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine?
3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine 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-(5-bromo-2-chlorophenoxy)-5-nitropyridine is sourced from PubChem (CID 79534868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).