4-bromo-2-fluoro-1-nitrobenzene

C6H3BrFNO2 — CID 2783362

IUPAC4-bromo-2-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Br)cc1F
InChIInChI=1S/C6H3BrFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKeyVQCWSOYHHXXWSP-UHFFFAOYSA-N
MW220.00 g/mol
LogP2.50
Rot. Bonds1

About 4-bromo-2-fluoro-1-nitrobenzene

4-bromo-2-fluoro-1-nitrobenzene (PubChem CID 2783362) has the molecular formula C6H3BrFNO2 and a molecular weight of 220.00 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-nitrobenzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-nitrobenzene
PubChem CID2783362
Molecular FormulaC6H3BrFNO2
Molecular Weight220.00 g/mol
Exact Mass218.93
IUPAC Name4-bromo-2-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Br)cc1F
InChIInChI=1S/C6H3BrFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKeyVQCWSOYHHXXWSP-UHFFFAOYSA-N
XLogP2.50
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.00
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-nitrobenzene?
The IUPAC name of 4-bromo-2-fluoro-1-nitrobenzene (CID 2783362) is 4-bromo-2-fluoro-1-nitrobenzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-nitrobenzene?
The canonical SMILES for 4-bromo-2-fluoro-1-nitrobenzene is O=[N+]([O-])c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-nitrobenzene?
The InChIKey is VQCWSOYHHXXWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H.
What are the key properties of 4-bromo-2-fluoro-1-nitrobenzene?
4-bromo-2-fluoro-1-nitrobenzene has a molecular weight of 220.00 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-nitrobenzene is sourced from PubChem (CID 2783362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).