3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine

C10H5BrClN3O3 — CID 113497819

IUPAC3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine
SMILESO=[N+]([O-])c1cccc(Oc2ccc(Cl)nn2)c1Br
InChIInChI=1S/C10H5BrClN3O3/c11-10-6(15(16)17)2-1-3-7(10)18-9-5-4-8(12)13-14-9/h1-5H
InChIKeyOLOCECNWUOAWJC-UHFFFAOYSA-N
MW330.53 g/mol
LogP3.59
Rot. Bonds3

About 3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine

3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine (PubChem CID 113497819) has the molecular formula C10H5BrClN3O3 and a molecular weight of 330.53 g/mol. Its IUPAC name is 3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine.

Molecular Properties

Compound Name3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine
PubChem CID113497819
Molecular FormulaC10H5BrClN3O3
Molecular Weight330.53 g/mol
Exact Mass328.92
IUPAC Name3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine
SMILESO=[N+]([O-])c1cccc(Oc2ccc(Cl)nn2)c1Br
InChIInChI=1S/C10H5BrClN3O3/c11-10-6(15(16)17)2-1-3-7(10)18-9-5-4-8(12)13-14-9/h1-5H
InChIKeyOLOCECNWUOAWJC-UHFFFAOYSA-N
XLogP3.59
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-6-(2-methyl-3-nitrophenoxy)pyridazine
CID 54915539
3-chloro-6-(5-fluoro-2-nitrophenoxy)pyridazine
CID 60674957
2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine
CID 102749806
5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine
CID 103583764
(1R)-1-[6-(2-bromo-3-nitrophenoxy)-3-pyridinyl]ethanamine
CID 104867394
4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
CID 113497815
3-chloro-6-(3-nitrophenoxy)pyridazine
CID 6400989
6-(2-nitrophenoxy)pyridazin-3-amine
CID 14294312
3-chloro-6-(2-methyl-5-nitrophenoxy)pyridazine
CID 54915676
4-bromo-2-(2-bromo-3-nitrophenoxy)benzonitrile
CID 114902541
3-chloro-6-naphthalen-1-yloxypyridazine
CID 54915223
N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide
CID 14207780

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine?
The IUPAC name of 3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine (CID 113497819) is 3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine.
What is the SMILES notation for 3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine?
The canonical SMILES for 3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine is O=[N+]([O-])c1cccc(Oc2ccc(Cl)nn2)c1Br.
What is the InChIKey of 3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine?
The InChIKey is OLOCECNWUOAWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O3/c11-10-6(15(16)17)2-1-3-7(10)18-9-5-4-8(12)13-14-9/h1-5H.
What are the key properties of 3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine?
3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine has a molecular weight of 330.53 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine is sourced from PubChem (CID 113497819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).