1-azido-3-nitrobenzene;hydrofluoride

C6H5FN4O2 — CID 161250805

IUPAC1-azido-3-nitrobenzene;hydrofluoride
SMILESF.[N-]=[N+]=Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C6H4N4O2.FH/c7-9-8-5-2-1-3-6(4-5)10(11)12;/h1-4H;1H
InChIKeyFKDNGJGOMHPLPB-UHFFFAOYSA-N
MW184.13 g/mol
LogP2.69
Rot. Bonds2

About 1-azido-3-nitrobenzene;hydrofluoride

1-azido-3-nitrobenzene;hydrofluoride (PubChem CID 161250805) has the molecular formula C6H5FN4O2 and a molecular weight of 184.13 g/mol. Its IUPAC name is 1-azido-3-nitrobenzene;hydrofluoride.

Molecular Properties

Compound Name1-azido-3-nitrobenzene;hydrofluoride
PubChem CID161250805
Molecular FormulaC6H5FN4O2
Molecular Weight184.13 g/mol
Exact Mass184.04
IUPAC Name1-azido-3-nitrobenzene;hydrofluoride
SMILESF.[N-]=[N+]=Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C6H4N4O2.FH/c7-9-8-5-2-1-3-6(4-5)10(11)12;/h1-4H;1H
InChIKeyFKDNGJGOMHPLPB-UHFFFAOYSA-N
XLogP2.69
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 52.69
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

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Frequently Asked Questions

What is the IUPAC name of 1-azido-3-nitrobenzene;hydrofluoride?
The IUPAC name of 1-azido-3-nitrobenzene;hydrofluoride (CID 161250805) is 1-azido-3-nitrobenzene;hydrofluoride.
What is the SMILES notation for 1-azido-3-nitrobenzene;hydrofluoride?
The canonical SMILES for 1-azido-3-nitrobenzene;hydrofluoride is F.[N-]=[N+]=Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-azido-3-nitrobenzene;hydrofluoride?
The InChIKey is FKDNGJGOMHPLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2.FH/c7-9-8-5-2-1-3-6(4-5)10(11)12;/h1-4H;1H.
What are the key properties of 1-azido-3-nitrobenzene;hydrofluoride?
1-azido-3-nitrobenzene;hydrofluoride has a molecular weight of 184.13 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-nitrobenzene;hydrofluoride is sourced from PubChem (CID 161250805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).