4-azido-1-(18F)fluoro-2-nitrobenzene

C6H3FN4O2 — CID 10607486

IUPAC4-azido-1-(18F)fluoro-2-nitrobenzene
SMILES[N-]=[N+]=Nc1ccc([18F])c([N+](=O)[O-])c1
InChIInChI=1S/C6H3FN4O2/c7-5-2-1-4(9-10-8)3-6(5)11(12)13/h1-3H/i7-1
InChIKeyVCTBSHQJICJJFV-JZRMKITLSA-N
MW181.12 g/mol
LogP2.68
Rot. Bonds2

About 4-azido-1-(18F)fluoro-2-nitrobenzene

4-azido-1-(18F)fluoro-2-nitrobenzene (PubChem CID 10607486) has the molecular formula C6H3FN4O2 and a molecular weight of 181.12 g/mol. Its IUPAC name is 4-azido-1-(18F)fluoro-2-nitrobenzene.

Molecular Properties

Compound Name4-azido-1-(18F)fluoro-2-nitrobenzene
PubChem CID10607486
Molecular FormulaC6H3FN4O2
Molecular Weight181.12 g/mol
Exact Mass181.03
IUPAC Name4-azido-1-(18F)fluoro-2-nitrobenzene
SMILES[N-]=[N+]=Nc1ccc([18F])c([N+](=O)[O-])c1
InChIInChI=1S/C6H3FN4O2/c7-5-2-1-4(9-10-8)3-6(5)11(12)13/h1-3H/i7-1
InChIKeyVCTBSHQJICJJFV-JZRMKITLSA-N
XLogP2.68
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-azido-2-fluoro-1-nitrobenzene
CID 15088119
4-azido-2-methyl-1-nitrobenzene
CID 80583441
4-azido-1-butyl-2-nitrobenzene
CID 123790313
(4-azido-2-nitrophenyl)methyl-trimethylazanium tetrafluoroborate
CID 3036675
1-azido-2-chloro-5-fluoro-4-nitrobenzene
CID 151628176
diethyl-(4-fluoro-3-nitrophenyl)imino-oxo-λ6-sulfane
CID 125455811
N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline
CID 20752290
4-azido-1-nitro-2-propoxybenzene
CID 80583524
1-(4-azido-2-nitrophenyl)-4-methylpiperidine
CID 169325227
(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
CID 102292228
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
4-fluoro-3-nitrobenzenediazonium
CID 10901209

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(18F)fluoro-2-nitrobenzene?
The IUPAC name of 4-azido-1-(18F)fluoro-2-nitrobenzene (CID 10607486) is 4-azido-1-(18F)fluoro-2-nitrobenzene.
What is the SMILES notation for 4-azido-1-(18F)fluoro-2-nitrobenzene?
The canonical SMILES for 4-azido-1-(18F)fluoro-2-nitrobenzene is [N-]=[N+]=Nc1ccc([18F])c([N+](=O)[O-])c1.
What is the InChIKey of 4-azido-1-(18F)fluoro-2-nitrobenzene?
The InChIKey is VCTBSHQJICJJFV-JZRMKITLSA-N. The full InChI is InChI=1S/C6H3FN4O2/c7-5-2-1-4(9-10-8)3-6(5)11(12)13/h1-3H/i7-1.
What are the key properties of 4-azido-1-(18F)fluoro-2-nitrobenzene?
4-azido-1-(18F)fluoro-2-nitrobenzene has a molecular weight of 181.12 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(18F)fluoro-2-nitrobenzene is sourced from PubChem (CID 10607486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).