2-azido-4-fluorobenzonitrile

C7H3FN4 — CID 151067663

IUPAC2-azido-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1N=[N+]=[N-]
InChIInChI=1S/C7H3FN4/c8-6-2-1-5(4-9)7(3-6)11-12-10/h1-3H
InChIKeyMHLUAZOUXRHCHL-UHFFFAOYSA-N
MW162.13 g/mol
LogP2.64
Rot. Bonds1

About 2-azido-4-fluorobenzonitrile

2-azido-4-fluorobenzonitrile (PubChem CID 151067663) has the molecular formula C7H3FN4 and a molecular weight of 162.13 g/mol. Its IUPAC name is 2-azido-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-azido-4-fluorobenzonitrile
PubChem CID151067663
Molecular FormulaC7H3FN4
Molecular Weight162.13 g/mol
Exact Mass162.03
IUPAC Name2-azido-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1N=[N+]=[N-]
InChIInChI=1S/C7H3FN4/c8-6-2-1-5(4-9)7(3-6)11-12-10/h1-3H
InChIKeyMHLUAZOUXRHCHL-UHFFFAOYSA-N
XLogP2.64
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-4-methylbenzonitrile
CID 80583819
4-azidonaphthalene-1,8-dicarbonitrile
CID 101166166
4-fluoro-2-sulfanylbenzonitrile
CID 86722289
2-(4-azido-1,2-dihydroxybutyl)-4-fluorobenzonitrile
CID 171879502
2-azido-5-[4-(trifluoromethyl)phenyl]benzonitrile
CID 59293548
2-azido-4-fluoro-3-(trifluoromethyl)benzonitrile
CID 169325570
4-azido-5-nitrobenzene-1,2-dicarbonitrile
CID 152630324
2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
4-fluoro-2-methylsulfanylbenzonitrile
CID 16753944
4-azido-3-bromobenzonitrile
CID 82802210
2-(2,4-difluorophenyl)-4-fluorobenzonitrile
CID 172989811
2-ethenyl-4-fluorobenzonitrile
CID 59556337

Frequently Asked Questions

What is the IUPAC name of 2-azido-4-fluorobenzonitrile?
The IUPAC name of 2-azido-4-fluorobenzonitrile (CID 151067663) is 2-azido-4-fluorobenzonitrile.
What is the SMILES notation for 2-azido-4-fluorobenzonitrile?
The canonical SMILES for 2-azido-4-fluorobenzonitrile is N#Cc1ccc(F)cc1N=[N+]=[N-].
What is the InChIKey of 2-azido-4-fluorobenzonitrile?
The InChIKey is MHLUAZOUXRHCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FN4/c8-6-2-1-5(4-9)7(3-6)11-12-10/h1-3H.
What are the key properties of 2-azido-4-fluorobenzonitrile?
2-azido-4-fluorobenzonitrile has a molecular weight of 162.13 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-fluorobenzonitrile is sourced from PubChem (CID 151067663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).