1-azido-2-chloro-5-fluoro-4-nitrobenzene

C6H2ClFN4O2 — CID 151628176

IUPAC1-azido-2-chloro-5-fluoro-4-nitrobenzene
SMILES[N-]=[N+]=Nc1cc(F)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H2ClFN4O2/c7-3-1-6(12(13)14)4(8)2-5(3)10-11-9/h1-2H
InChIKeyQPYFKIDQMYUPET-UHFFFAOYSA-N
MW216.56 g/mol
LogP3.33
Rot. Bonds2

About 1-azido-2-chloro-5-fluoro-4-nitrobenzene

1-azido-2-chloro-5-fluoro-4-nitrobenzene (PubChem CID 151628176) has the molecular formula C6H2ClFN4O2 and a molecular weight of 216.56 g/mol. Its IUPAC name is 1-azido-2-chloro-5-fluoro-4-nitrobenzene.

Molecular Properties

Compound Name1-azido-2-chloro-5-fluoro-4-nitrobenzene
PubChem CID151628176
Molecular FormulaC6H2ClFN4O2
Molecular Weight216.56 g/mol
Exact Mass215.99
IUPAC Name1-azido-2-chloro-5-fluoro-4-nitrobenzene
SMILES[N-]=[N+]=Nc1cc(F)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H2ClFN4O2/c7-3-1-6(12(13)14)4(8)2-5(3)10-11-9/h1-2H
InChIKeyQPYFKIDQMYUPET-UHFFFAOYSA-N
XLogP3.33
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.56
LogP ≤ 53.33
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

2-azido-4-chloro-5-nitrophenol
CID 151690041
4-azido-1-(18F)fluoro-2-nitrobenzene
CID 10607486
4-azido-2-fluoro-1-nitrobenzene
CID 15088119
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
1-azido-2-chloro-4-fluoro-5-methylbenzene
CID 130520816
2-azido-1,3-dichloro-4-nitrobenzene
CID 151668211
2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene
CID 152639889
sodium;1-bromo-2-chloro-5-fluoro-4-nitrobenzene;methanolate
CID 67469276
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
4-azido-5-nitrobenzene-1,2-dicarbonitrile
CID 152630324
1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene
CID 58919797
1-azido-4-tert-butyl-2-nitrobenzene
CID 151434378

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-chloro-5-fluoro-4-nitrobenzene?
The IUPAC name of 1-azido-2-chloro-5-fluoro-4-nitrobenzene (CID 151628176) is 1-azido-2-chloro-5-fluoro-4-nitrobenzene.
What is the SMILES notation for 1-azido-2-chloro-5-fluoro-4-nitrobenzene?
The canonical SMILES for 1-azido-2-chloro-5-fluoro-4-nitrobenzene is [N-]=[N+]=Nc1cc(F)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of 1-azido-2-chloro-5-fluoro-4-nitrobenzene?
The InChIKey is QPYFKIDQMYUPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClFN4O2/c7-3-1-6(12(13)14)4(8)2-5(3)10-11-9/h1-2H.
What are the key properties of 1-azido-2-chloro-5-fluoro-4-nitrobenzene?
1-azido-2-chloro-5-fluoro-4-nitrobenzene has a molecular weight of 216.56 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-chloro-5-fluoro-4-nitrobenzene is sourced from PubChem (CID 151628176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).