2-azido-1-bromo-5-methoxy-3-nitrobenzene

C7H5BrN4O3 — CID 169324865

IUPAC2-azido-1-bromo-5-methoxy-3-nitrobenzene
SMILESCOc1cc(Br)c(N=[N+]=[N-])c([N+](=O)[O-])c1
InChIInChI=1S/C7H5BrN4O3/c1-15-4-2-5(8)7(10-11-9)6(3-4)12(13)14/h2-3H,1H3
InChIKeyOUDNOGXXRBQOOG-UHFFFAOYSA-N
MW273.05 g/mol
LogP3.31
Rot. Bonds3

About 2-azido-1-bromo-5-methoxy-3-nitrobenzene

2-azido-1-bromo-5-methoxy-3-nitrobenzene (PubChem CID 169324865) has the molecular formula C7H5BrN4O3 and a molecular weight of 273.05 g/mol. Its IUPAC name is 2-azido-1-bromo-5-methoxy-3-nitrobenzene.

Molecular Properties

Compound Name2-azido-1-bromo-5-methoxy-3-nitrobenzene
PubChem CID169324865
Molecular FormulaC7H5BrN4O3
Molecular Weight273.05 g/mol
Exact Mass271.95
IUPAC Name2-azido-1-bromo-5-methoxy-3-nitrobenzene
SMILESCOc1cc(Br)c(N=[N+]=[N-])c([N+](=O)[O-])c1
InChIInChI=1S/C7H5BrN4O3/c1-15-4-2-5(8)7(10-11-9)6(3-4)12(13)14/h2-3H,1H3
InChIKeyOUDNOGXXRBQOOG-UHFFFAOYSA-N
XLogP3.31
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.05
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-azido-1,5-dibromo-3-methyl-4-nitrobenzene
CID 169325406
4-azido-6-methoxy-3-nitroquinoline
CID 169448058
2-(2-bromo-4-methoxy-6-nitrophenyl)acetic acid
CID 171007604
2-bromo-1-(2-bromo-4-methoxy-6-nitrophenyl)ethanone
CID 171007807
1-(2-amino-5-methoxy-3-nitrophenyl)-4-azidobutane-1,2-diol
CID 171880368
1-[(2S)-3-azido-2-iodopropyl]-2,5-dimethoxy-3-nitrobenzene
CID 100942181
1-bromo-5-methoxy-3-methyl-2-nitrobenzene
CID 86107754
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
methyl 4-azido-3,5-dibromobenzoate
CID 15005123
2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol
CID 159513130
(4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane
CID 150996443
4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine
CID 50879637

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-bromo-5-methoxy-3-nitrobenzene?
The IUPAC name of 2-azido-1-bromo-5-methoxy-3-nitrobenzene (CID 169324865) is 2-azido-1-bromo-5-methoxy-3-nitrobenzene.
What is the SMILES notation for 2-azido-1-bromo-5-methoxy-3-nitrobenzene?
The canonical SMILES for 2-azido-1-bromo-5-methoxy-3-nitrobenzene is COc1cc(Br)c(N=[N+]=[N-])c([N+](=O)[O-])c1.
What is the InChIKey of 2-azido-1-bromo-5-methoxy-3-nitrobenzene?
The InChIKey is OUDNOGXXRBQOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4O3/c1-15-4-2-5(8)7(10-11-9)6(3-4)12(13)14/h2-3H,1H3.
What are the key properties of 2-azido-1-bromo-5-methoxy-3-nitrobenzene?
2-azido-1-bromo-5-methoxy-3-nitrobenzene has a molecular weight of 273.05 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-bromo-5-methoxy-3-nitrobenzene is sourced from PubChem (CID 169324865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).