5-bromo-2-chloro-4-(trifluoromethyl)pyridine
CAS No.：
Cat. No.: SC23305
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Product Name :5-bromo-2-chloro-4-(trifluoromethyl)pyridine
Cat. No.: :SC23305
Purity / Specification :—
CAS No. :823221-93-8
MDL No. :MFCD11100520
Molecular Formula :C6H2BrClF3N
LogP :3.40
Molecular Weight :260.44
TPSA :12.9
Category :Building Blocks
HSN Code :—
SMILES Code :FC(F)(F)c1cc(Cl)ncc1Br
Melting Point :—
InChI Key : :SYBSBIJPNQAETE-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✓ 260.4 Da
LogP ≤ 5✓ 3.40
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i75/100
Good drug-like profile
Predicted LogP
i3.40log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 12.9Ų · 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.