2-bromo-1-(6-bromo-2-pyridinyl)ethanone
CAS No.：
Cat. No.: SC19075
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Product Name :2-bromo-1-(6-bromo-2-pyridinyl)ethanone
Cat. No.: :SC19075
Purity / Specification :—
CAS No. :142978-11-8
MDL No. :MFCD07785847
Molecular Formula :C7H5Br2NO
LogP :2.70
Molecular Weight :278.93
TPSA :30.0
Category :API Impurities
HSN Code :—
SMILES Code :O=C(CBr)c1cccc(Br)n1
Melting Point :—
InChI Key : :SXXDYQVZPQXUQJ-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✓ 278.9 Da
LogP ≤ 5✓ 2.70
HBD ≤ 5✓ 0
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i86/100
Excellent drug-like profile
Predicted LogP
i2.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 30.0Ų · 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.