N-[(2-bromophenyl)diazenyl]-3-nitroaniline

C12H9BrN4O2 — CID 2828924

IUPACN-[(2-bromophenyl)diazenyl]-3-nitroaniline
SMILESO=[N+]([O-])c1cccc(N/N=N/c2ccccc2Br)c1
InChIInChI=1S/C12H9BrN4O2/c13-11-6-1-2-7-12(11)15-16-14-9-4-3-5-10(8-9)17(18)19/h1-8H,(H,14,15)
InChIKeyHWLVLXLHVYZFTB-UHFFFAOYSA-N
MW321.13 g/mol
LogP4.47
Rot. Bonds4

About N-[(2-bromophenyl)diazenyl]-3-nitroaniline

N-[(2-bromophenyl)diazenyl]-3-nitroaniline (PubChem CID 2828924) has the molecular formula C12H9BrN4O2 and a molecular weight of 321.13 g/mol. Its IUPAC name is N-[(2-bromophenyl)diazenyl]-3-nitroaniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)diazenyl]-3-nitroaniline
PubChem CID2828924
Molecular FormulaC12H9BrN4O2
Molecular Weight321.13 g/mol
Exact Mass319.99
IUPAC NameN-[(2-bromophenyl)diazenyl]-3-nitroaniline
SMILESO=[N+]([O-])c1cccc(N/N=N/c2ccccc2Br)c1
InChIInChI=1S/C12H9BrN4O2/c13-11-6-1-2-7-12(11)15-16-14-9-4-3-5-10(8-9)17(18)19/h1-8H,(H,14,15)
InChIKeyHWLVLXLHVYZFTB-UHFFFAOYSA-N
XLogP4.47
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-bromophenyl)diazenyl]-3-nitroaniline 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

N-[(2-fluorophenyl)diazenyl]-3-nitroaniline
CID 71405454
ethyl 2-[(3-nitroanilino)diazenyl]benzoate
CID 2828929
CID 58015538
CID 58015538
2-bromo-N-(3-nitrophenyl)benzenesulfonamide
CID 26952317
N-[(E)-ethylideneamino]-3-nitroaniline
CID 13200787
N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
CID 108513373
N-[1-(2-bromophenyl)ethyl]-3-nitroaniline
CID 43718031
hydrazine;bis((3-nitrophenyl)hydrazine);hydrate
CID 158997537
N-(2-chloroethylideneamino)-3-nitroaniline
CID 110842338
N-(cyclododecylideneamino)-3-nitroaniline
CID 4035355
N-[[(2S,6R)-2,6-dimethylcyclohexylidene]amino]-3-nitroaniline
CID 9077133
N-[(2-methylphenyl)methylideneamino]-3-nitroaniline
CID 4617596

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)diazenyl]-3-nitroaniline?
The IUPAC name of N-[(2-bromophenyl)diazenyl]-3-nitroaniline (CID 2828924) is N-[(2-bromophenyl)diazenyl]-3-nitroaniline.
What is the SMILES notation for N-[(2-bromophenyl)diazenyl]-3-nitroaniline?
The canonical SMILES for N-[(2-bromophenyl)diazenyl]-3-nitroaniline is O=[N+]([O-])c1cccc(N/N=N/c2ccccc2Br)c1.
What is the InChIKey of N-[(2-bromophenyl)diazenyl]-3-nitroaniline?
The InChIKey is HWLVLXLHVYZFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O2/c13-11-6-1-2-7-12(11)15-16-14-9-4-3-5-10(8-9)17(18)19/h1-8H,(H,14,15).
What are the key properties of N-[(2-bromophenyl)diazenyl]-3-nitroaniline?
N-[(2-bromophenyl)diazenyl]-3-nitroaniline has a molecular weight of 321.13 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)diazenyl]-3-nitroaniline is sourced from PubChem (CID 2828924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).