(3-bromo-2-methyl-4-pyridinyl)boronic acid
CAS No.：
Cat. No.: SC251515
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Product Name :(3-bromo-2-methyl-4-pyridinyl)boronic acid
Cat. No.: :SC251515
Purity / Specification :—
CAS No. :2096338-89-3
MDL No. :—
Molecular Formula :C6H7BBrNO2
LogP :-0.17
Molecular Weight :215.84
TPSA :53.4
Category :CRO / Contract Research
HSN Code :—
SMILES Code :Cc1nccc(B(O)O)c1Br
Melting Point :—
InChI Key : :CWMZIKRCCDHSKF-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✓ 215.8 Da
LogP ≤ 5✓ -0.17
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i66/100
Moderate — typical building block
Predicted LogP
i-0.17log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 53.4Ų · 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.