4-anilino-2-methoxybenzenediazonium bromide

C13H12BrN3O — CID 19770680

IUPAC4-anilino-2-methoxybenzenediazonium bromide
SMILESCOc1cc(Nc2ccccc2)ccc1[N+]#N.[Br-]
InChIInChI=1S/C13H12N3O.BrH/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;/h2-9,15H,1H3;1H/q+1;/p-1
InChIKeyXNUSLXRMOXPRCW-UHFFFAOYSA-M
MW306.16 g/mol
LogP0.93
Rot. Bonds3

About 4-anilino-2-methoxybenzenediazonium bromide

4-anilino-2-methoxybenzenediazonium bromide (PubChem CID 19770680) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-anilino-2-methoxybenzenediazonium bromide.

Molecular Properties

Compound Name4-anilino-2-methoxybenzenediazonium bromide
PubChem CID19770680
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name4-anilino-2-methoxybenzenediazonium bromide
SMILESCOc1cc(Nc2ccccc2)ccc1[N+]#N.[Br-]
InChIInChI=1S/C13H12N3O.BrH/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;/h2-9,15H,1H3;1H/q+1;/p-1
InChIKeyXNUSLXRMOXPRCW-UHFFFAOYSA-M
XLogP0.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-anilino-2-methoxybenzenediazonium bromide 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

4-anilino-2-methoxybenzenediazonium;benzyl ethenyl sulfate
CID 22141896
4-methoxy-3-methyl-N-phenylaniline
CID 23635969
4-anilino-2-methoxybenzenediazonium;1-(methoxymethyl)-4-[4-(methoxymethyl)phenoxy]benzene;2,4,6-trimethylbenzenesulfonate
CID 90471531
1-N-iodo-2-methoxy-4-N-phenylbenzene-1,4-diamine
CID 154558823
4-anilino-2-(hydroxymethyl)benzenediazonium
CID 58028387
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
2-methoxybenzenediazonium chloride
CID 10920957
3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline
CID 57321576
1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine
CID 82857790
3-methoxy-4-methyl-N-phenylaniline;oxido sulfite
CID 91481114
1-(4-anilino-2-methoxyphenyl)-3-methylurea
CID 110178450

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-methoxybenzenediazonium bromide?
The IUPAC name of 4-anilino-2-methoxybenzenediazonium bromide (CID 19770680) is 4-anilino-2-methoxybenzenediazonium bromide.
What is the SMILES notation for 4-anilino-2-methoxybenzenediazonium bromide?
The canonical SMILES for 4-anilino-2-methoxybenzenediazonium bromide is COc1cc(Nc2ccccc2)ccc1[N+]#N.[Br-].
What is the InChIKey of 4-anilino-2-methoxybenzenediazonium bromide?
The InChIKey is XNUSLXRMOXPRCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N3O.BrH/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;/h2-9,15H,1H3;1H/q+1;/p-1.
What are the key properties of 4-anilino-2-methoxybenzenediazonium bromide?
4-anilino-2-methoxybenzenediazonium bromide has a molecular weight of 306.16 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-methoxybenzenediazonium bromide is sourced from PubChem (CID 19770680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).