3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine

C11H6BrCl2N3O3 — CID 104514186

IUPAC3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine
SMILESO=[N+]([O-])c1cc(Cl)cc(Br)c1OCc1ccc(Cl)nn1
InChIInChI=1S/C11H6BrCl2N3O3/c12-8-3-6(13)4-9(17(18)19)11(8)20-5-7-1-2-10(14)16-15-7/h1-4H,5H2
InChIKeyWPFSHQQLSNRUGH-UHFFFAOYSA-N
MW379.00 g/mol
LogP4.03
Rot. Bonds4

About 3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine

3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine (PubChem CID 104514186) has the molecular formula C11H6BrCl2N3O3 and a molecular weight of 379.00 g/mol. Its IUPAC name is 3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine.

Molecular Properties

Compound Name3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine
PubChem CID104514186
Molecular FormulaC11H6BrCl2N3O3
Molecular Weight379.00 g/mol
Exact Mass376.90
IUPAC Name3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine
SMILESO=[N+]([O-])c1cc(Cl)cc(Br)c1OCc1ccc(Cl)nn1
InChIInChI=1S/C11H6BrCl2N3O3/c12-8-3-6(13)4-9(17(18)19)11(8)20-5-7-1-2-10(14)16-15-7/h1-4H,5H2
InChIKeyWPFSHQQLSNRUGH-UHFFFAOYSA-N
XLogP4.03
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.00
LogP ≤ 54.03
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-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-6-chloropyridazine
CID 104514187
3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine
CID 104514161
3-chloro-6-[(4-methyl-2-nitrophenoxy)methyl]pyridazine
CID 104514208
[4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245676
[5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765704
2-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-methyloxirane
CID 66335978
3-chloro-6-[(2-methyl-4-nitrophenoxy)methyl]pyridazine
CID 104514293
1-bromo-2-[[1-(bromomethyl)cyclohexyl]methoxy]-5-chloro-3-nitrobenzene
CID 65002204
methyl 3-(2-bromo-4-chloro-6-nitrophenoxy)-2-methylpropanoate
CID 43538092
4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide
CID 63569638
1-(2-bromo-4-chloro-6-nitrophenoxy)-3-(ethylamino)propan-2-ol
CID 43379235
3-(2-bromo-4-chloro-6-nitrophenoxy)cyclopentan-1-one
CID 79643108

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine?
The IUPAC name of 3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine (CID 104514186) is 3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine.
What is the SMILES notation for 3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine?
The canonical SMILES for 3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine is O=[N+]([O-])c1cc(Cl)cc(Br)c1OCc1ccc(Cl)nn1.
What is the InChIKey of 3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine?
The InChIKey is WPFSHQQLSNRUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O3/c12-8-3-6(13)4-9(17(18)19)11(8)20-5-7-1-2-10(14)16-15-7/h1-4H,5H2.
What are the key properties of 3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine?
3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine has a molecular weight of 379.00 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine is sourced from PubChem (CID 104514186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).