1-(3-azidopropoxy)-3-bromo-5-nitrobenzene

C9H9BrN4O3 — CID 103589292

IUPAC1-(3-azidopropoxy)-3-bromo-5-nitrobenzene
SMILES[N-]=[N+]=NCCCOc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H9BrN4O3/c10-7-4-8(14(15)16)6-9(5-7)17-3-1-2-12-13-11/h4-6H,1-3H2
InChIKeyIGDSYGQNGSVTQA-UHFFFAOYSA-N
MW301.10 g/mol
LogP3.44
Rot. Bonds6

About 1-(3-azidopropoxy)-3-bromo-5-nitrobenzene

1-(3-azidopropoxy)-3-bromo-5-nitrobenzene (PubChem CID 103589292) has the molecular formula C9H9BrN4O3 and a molecular weight of 301.10 g/mol. Its IUPAC name is 1-(3-azidopropoxy)-3-bromo-5-nitrobenzene.

Molecular Properties

Compound Name1-(3-azidopropoxy)-3-bromo-5-nitrobenzene
PubChem CID103589292
Molecular FormulaC9H9BrN4O3
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC Name1-(3-azidopropoxy)-3-bromo-5-nitrobenzene
SMILES[N-]=[N+]=NCCCOc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H9BrN4O3/c10-7-4-8(14(15)16)6-9(5-7)17-3-1-2-12-13-11/h4-6H,1-3H2
InChIKeyIGDSYGQNGSVTQA-UHFFFAOYSA-N
XLogP3.44
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 1-(3-azidopropoxy)-3-bromo-5-nitrobenzene 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

1-bromo-3-(3-bromopropoxy)-5-nitrobenzene
CID 103588530
9-(3-bromo-5-nitrophenoxy)nonane-1-thiol
CID 103589603
1-bromo-3-(5-chloropentoxy)-5-nitrobenzene
CID 103588512
2-(3-bromo-5-nitrophenoxy)ethanesulfonamide
CID 103589539
2-(3-bromo-5-nitrophenoxy)-N-methylethanamine
CID 103588685
3-(3-bromo-5-nitrophenoxy)propanimidamide
CID 103588762
1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine
CID 142787277
methyl 3-(3-bromo-5-nitrophenoxy)propanoate
CID 103588445
4-(3-bromo-5-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 103588643
2-amino-6-(3-bromo-5-nitrophenoxy)-2-methylhexanamide
CID 103589421
2-amino-5-(3-bromo-5-nitrophenoxy)-2-ethylpentanoic acid
CID 106807206
4-(3-bromo-5-nitrophenoxy)-2-(methylamino)butanenitrile
CID 103589328

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropoxy)-3-bromo-5-nitrobenzene?
The IUPAC name of 1-(3-azidopropoxy)-3-bromo-5-nitrobenzene (CID 103589292) is 1-(3-azidopropoxy)-3-bromo-5-nitrobenzene.
What is the SMILES notation for 1-(3-azidopropoxy)-3-bromo-5-nitrobenzene?
The canonical SMILES for 1-(3-azidopropoxy)-3-bromo-5-nitrobenzene is [N-]=[N+]=NCCCOc1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-azidopropoxy)-3-bromo-5-nitrobenzene?
The InChIKey is IGDSYGQNGSVTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O3/c10-7-4-8(14(15)16)6-9(5-7)17-3-1-2-12-13-11/h4-6H,1-3H2.
What are the key properties of 1-(3-azidopropoxy)-3-bromo-5-nitrobenzene?
1-(3-azidopropoxy)-3-bromo-5-nitrobenzene has a molecular weight of 301.10 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropoxy)-3-bromo-5-nitrobenzene is sourced from PubChem (CID 103589292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).