2-bromo-4-fluoro-6-nitrosoaniline

C6H4BrFN2O — CID 134455262

IUPAC2-bromo-4-fluoro-6-nitrosoaniline
SMILESNc1c(Br)cc(F)cc1N=O
InChIInChI=1S/C6H4BrFN2O/c7-4-1-3(8)2-5(10-11)6(4)9/h1-2H,9H2
InChIKeyPKYBGDZMUKLXDT-UHFFFAOYSA-N
MW219.01 g/mol
LogP2.57
Rot. Bonds1

About 2-bromo-4-fluoro-6-nitrosoaniline

2-bromo-4-fluoro-6-nitrosoaniline (PubChem CID 134455262) has the molecular formula C6H4BrFN2O and a molecular weight of 219.01 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-nitrosoaniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-nitrosoaniline
PubChem CID134455262
Molecular FormulaC6H4BrFN2O
Molecular Weight219.01 g/mol
Exact Mass217.95
IUPAC Name2-bromo-4-fluoro-6-nitrosoaniline
SMILESNc1c(Br)cc(F)cc1N=O
InChIInChI=1S/C6H4BrFN2O/c7-4-1-3(8)2-5(10-11)6(4)9/h1-2H,9H2
InChIKeyPKYBGDZMUKLXDT-UHFFFAOYSA-N
XLogP2.57
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.01
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-bromo-4-fluoro-6-nitrosoaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-nitrosoaniline?
The IUPAC name of 2-bromo-4-fluoro-6-nitrosoaniline (CID 134455262) is 2-bromo-4-fluoro-6-nitrosoaniline.
What is the SMILES notation for 2-bromo-4-fluoro-6-nitrosoaniline?
The canonical SMILES for 2-bromo-4-fluoro-6-nitrosoaniline is Nc1c(Br)cc(F)cc1N=O.
What is the InChIKey of 2-bromo-4-fluoro-6-nitrosoaniline?
The InChIKey is PKYBGDZMUKLXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2O/c7-4-1-3(8)2-5(10-11)6(4)9/h1-2H,9H2.
What are the key properties of 2-bromo-4-fluoro-6-nitrosoaniline?
2-bromo-4-fluoro-6-nitrosoaniline has a molecular weight of 219.01 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-nitrosoaniline is sourced from PubChem (CID 134455262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).