5-bromo-4-methoxy-2-methylbenzenediazonium

C8H8BrN2O+ — CID 87141398

IUPAC5-bromo-4-methoxy-2-methylbenzenediazonium
SMILESCOc1cc(C)c([N+]#N)cc1Br
InChIInChI=1S/C8H8BrN2O/c1-5-3-8(12-2)6(9)4-7(5)11-10/h3-4H,1-2H3/q+1
InChIKeyNGBOJBUIUCBPFM-UHFFFAOYSA-N
MW228.07 g/mol
LogP3.25
Rot. Bonds1

About 5-bromo-4-methoxy-2-methylbenzenediazonium

5-bromo-4-methoxy-2-methylbenzenediazonium (PubChem CID 87141398) has the molecular formula C8H8BrN2O+ and a molecular weight of 228.07 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-methylbenzenediazonium.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-methylbenzenediazonium
PubChem CID87141398
Molecular FormulaC8H8BrN2O+
Molecular Weight228.07 g/mol
Exact Mass226.98
IUPAC Name5-bromo-4-methoxy-2-methylbenzenediazonium
SMILESCOc1cc(C)c([N+]#N)cc1Br
InChIInChI=1S/C8H8BrN2O/c1-5-3-8(12-2)6(9)4-7(5)11-10/h3-4H,1-2H3/q+1
InChIKeyNGBOJBUIUCBPFM-UHFFFAOYSA-N
XLogP3.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351
[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428385
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
ethyl 2-(5-bromo-4-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117487986
5-bromo-4-methoxy-2-methylbenzoyl chloride
CID 156551908
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
1-isocyano-4,5-dimethoxy-2-methylbenzene
CID 58999561
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
CID 105407420

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-methylbenzenediazonium?
The IUPAC name of 5-bromo-4-methoxy-2-methylbenzenediazonium (CID 87141398) is 5-bromo-4-methoxy-2-methylbenzenediazonium.
What is the SMILES notation for 5-bromo-4-methoxy-2-methylbenzenediazonium?
The canonical SMILES for 5-bromo-4-methoxy-2-methylbenzenediazonium is COc1cc(C)c([N+]#N)cc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-methylbenzenediazonium?
The InChIKey is NGBOJBUIUCBPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN2O/c1-5-3-8(12-2)6(9)4-7(5)11-10/h3-4H,1-2H3/q+1.
What are the key properties of 5-bromo-4-methoxy-2-methylbenzenediazonium?
5-bromo-4-methoxy-2-methylbenzenediazonium has a molecular weight of 228.07 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-methylbenzenediazonium is sourced from PubChem (CID 87141398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).