2-bromo-6-fluoroaniline
CAS No.：
Cat. No.: SC19071
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Product Name :2-bromo-6-fluoroaniline
Cat. No.: :SC19071
Purity / Specification :—
CAS No. :65896-11-9
MDL No. :MFCD01310982
Molecular Formula :C6H5BrFN
LogP :2.00
Molecular Weight :190.01
TPSA :26.0
Category :Scalable Synthesis
HSN Code :—
SMILES Code :Nc1c(F)cccc1Br
Melting Point :—
InChI Key : :ALZFPYUPNVLVQM-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 190.0 Da
LogP ≤ 5✓ 2.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i68/100
Moderate — typical building block
Predicted LogP
i2.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 26.0Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.