2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine

C8H8Br2N4O4 — CID 13101294

IUPAC2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine
SMILESCN(C)Nc1c([N+](=O)[O-])cc(Br)c(Br)c1[N+](=O)[O-]
InChIInChI=1S/C8H8Br2N4O4/c1-12(2)11-7-5(13(15)16)3-4(9)6(10)8(7)14(17)18/h3,11H,1-2H3
InChIKeyLWCOUDPMJMXBOI-UHFFFAOYSA-N
MW383.98 g/mol
LogP2.92
Rot. Bonds4

About 2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine

2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine (PubChem CID 13101294) has the molecular formula C8H8Br2N4O4 and a molecular weight of 383.98 g/mol. Its IUPAC name is 2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine
PubChem CID13101294
Molecular FormulaC8H8Br2N4O4
Molecular Weight383.98 g/mol
Exact Mass381.89
IUPAC Name2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine
SMILESCN(C)Nc1c([N+](=O)[O-])cc(Br)c(Br)c1[N+](=O)[O-]
InChIInChI=1S/C8H8Br2N4O4/c1-12(2)11-7-5(13(15)16)3-4(9)6(10)8(7)14(17)18/h3,11H,1-2H3
InChIKeyLWCOUDPMJMXBOI-UHFFFAOYSA-N
XLogP2.92
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.98
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine?
The IUPAC name of 2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine (CID 13101294) is 2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine.
What is the SMILES notation for 2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine?
The canonical SMILES for 2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine is CN(C)Nc1c([N+](=O)[O-])cc(Br)c(Br)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine?
The InChIKey is LWCOUDPMJMXBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N4O4/c1-12(2)11-7-5(13(15)16)3-4(9)6(10)8(7)14(17)18/h3,11H,1-2H3.
What are the key properties of 2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine?
2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine has a molecular weight of 383.98 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dibromo-2,6-dinitrophenyl)-1,1-dimethylhydrazine is sourced from PubChem (CID 13101294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).